PDC_00176.sdf
  ChemDraw06272410262D

159168  0  0  1  0  0  0  0  0999 V2000
   -1.6691   -0.6772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4816    1.9708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4920   -0.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7119   -3.9945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2529   -4.7934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6566   -1.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4108    1.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9921    2.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7795    3.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9851    3.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7725    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6236    1.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4037    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410    1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0352    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6166    2.0126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282    2.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -0.5485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7951   -0.7567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544    0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625   -1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6664    0.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2481    0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456    3.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652    1.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2838    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967   -0.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8581    2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2768    1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859    0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896    0.9068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0988    1.3322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8431   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302   -1.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -0.0433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617    0.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2688    1.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4746    0.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746   -2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2186   -0.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128   -0.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257    0.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   -0.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874   -2.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3816   -1.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0058   -1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9700   -1.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7572   -2.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5945   -1.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887   -0.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7242    0.0012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9594    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5859    2.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7648    2.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171    1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    0.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6902    0.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0345   -0.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3957    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6015   -0.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400   -1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3526   -0.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7642   -1.3050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3456   -1.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8996   -3.8661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3614   -5.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717   -5.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9391   -5.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959   -4.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3182   -4.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5856   -4.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5264   -3.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7143   -3.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1330   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5156   -2.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0969   -2.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8841   -3.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214   -2.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2670   -2.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8911   -2.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4798   -1.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4728   -2.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4657   -3.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6853   -2.1979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2599   -3.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8413   -4.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6425   -3.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2239   -3.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2811   -0.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0110   -4.5236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8483   -3.3606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8624   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6496   -2.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8554   -2.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7553   -6.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5997   -4.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3939   -3.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6067   -3.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0181   -3.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9682   -5.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7624   -5.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3868   -4.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9752   -4.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6298   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4868    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7499    1.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4515   -0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8874    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7816    1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6755    2.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5794    1.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4733    2.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2360   -0.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9209    3.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7077    0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6183    3.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9065    1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3806    3.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6688    1.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5795    4.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8676    2.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3420    4.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2024    6.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6302    2.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5409    5.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.3273    2.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7750    3.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0123    6.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6692    4.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5727    3.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4670    4.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3612    5.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2028    4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7968    6.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9752    3.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6747    0.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7499    1.1246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1582   -0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2091    1.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9092    2.9798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3394    3.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0392    4.2797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1572    1.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3799   -0.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5678   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5058   -1.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3392   -0.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8676   -1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6137    2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1895    2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3257    1.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9014    1.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1895    3.1802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0379    2.3580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7805    2.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  7 16  1  0      
 10 13  1  0      
 14 28  1  0      
 26 35  1  0      
 34 39  1  0      
 37 47  1  0      
 45 53  1  0      
 51 67  1  0      
 65 82  1  0      
 80 84  1  0      
 83 95  1  0      
 92103  1  0      
101107  1  0      
 12  7  2  0      
  7  8  1  0      
  8  9  1  1      
  9 10  1  0      
 10 11  2  0      
 18 20  1  0      
 21 18  1  0      
 19 21  2  0      
 19 22  1  0      
 20 22  2  0      
 23 22  1  0      
 17 14  2  0      
 14 15  1  0      
 15 16  1  0      
 15 23  1  6      
 18  1  1  0      
 29 24  1  0      
 29 30  1  0      
 29 31  1  0      
 25 31  1  1      
 25 28  1  0      
 25 26  1  0      
 26 27  2  0      
 33 32  1  6      
 35 33  1  0      
 33 34  1  0      
 34 36  2  0      
 42 41  1  0      
 38 37  2  0      
 37 40  1  0      
 40 39  1  0      
 40 42  1  1      
 41  2  1  0      
 48 43  1  0      
 48 49  1  0      
 48 50  1  0      
 44 50  1  6      
 44 47  1  0      
 44 45  1  0      
 45 46  2  0      
 57 56  2  0      
 58 57  1  0      
 59 58  2  0      
 56 60  1  0      
 60 55  1  0      
 61 59  1  0      
 61 60  2  0      
 55 62  1  0      
 61 63  1  0      
 62 63  2  0      
 52 51  2  0      
 51 54  1  0      
 54 53  1  0      
 54 64  1  1      
 64 63  1  0      
 55  3  1  0      
 71 70  2  0      
 72 71  1  0      
 73 72  2  0      
 70 74  1  0      
 74 69  1  0      
 75 73  1  0      
 75 74  2  0      
 69 76  1  0      
 75 77  1  0      
 76 77  2  0      
 66 65  2  0      
 65 68  1  0      
 68 67  1  0      
 68 78  1  6      
 78 77  1  0      
 69  4  1  0      
 82 79  1  0      
 79 80  1  0      
 80 81  2  0      
 89 87  1  1      
 89 90  1  0      
 85 83  2  0      
 86 83  1  0      
 86 84  1  0      
 86 89  1  0      
 86 88  1  1      
 87  5  1  0      
 96 93  2  0      
 97 96  1  0      
 98 97  1  0      
 92 91  1  0      
 91 95  1  0      
 91 98  1  1      
 92 94  2  0      
 96  6  1  0      
104 99  1  0      
104105  1  0      
104106  1  0      
100106  1  6      
100103  1  0      
100101  1  0      
101102  2  0      
108111  1  0      
108142  1  0      
109113  1  0      
109140  1  0      
110114  1  0      
110141  2  0      
112111  1  1      
112115  1  0      
112119  1  0      
113115  1  0      
113116  2  0      
114116  1  0      
114120  2  0      
115143  2  0      
116144  1  0      
119117  1  6      
118120  1  0      
119121  1  0      
120122  1  0      
121123  2  0      
121143  1  0      
122124  2  0      
122144  1  0      
123125  1  0      
124126  1  0      
125128  2  0      
125145  1  0      
126129  1  0      
126146  2  0      
127132  1  0      
128130  1  0      
128134  1  0      
129132  1  0      
129136  2  0      
131134  2  0      
131135  1  0      
131145  1  0      
133135  2  0      
133136  1  0      
133146  1  0      
134137  1  0      
136138  1  0      
137139  2  0      
140147  2  0      
140148  1  0      
148149  1  0      
142150  2  0      
142151  1  0      
151152  1  0      
153155  1  0      
153156  1  0      
154156  1  0      
154157  2  0      
154159  1  0      
155158  1  0      
158110  1  0      
159  8  1  0      
M  STY  1   1 SUP
M  SLB  1   1   1
M  SDS EXP  1   1
M  SAL   1  1  13
M  SBL   1  1   2
M  SMT   1 OH
M  SCL   1 LGRP
M  STY  1   2 SUP
M  SLB  1   2   2
M  SDS EXP  1   2
M  SAL   2  1   1
M  SBL   2  1  29
M  SMT   2 H
M  SCL   2 LGRP
M  STY  1   3 SUP
M  SLB  1   3   3
M  SDS EXP  1   3
M  SAL   3  1   2
M  SBL   3  1  46
M  SMT   3 H
M  SCL   3 LGRP
M  STY  1   4 SUP
M  SLB  1   4   4
M  SDS EXP  1   4
M  SAL   4  1   3
M  SBL   4  1  69
M  SMT   4 H
M  SCL   4 LGRP
M  STY  1   5 SUP
M  SLB  1   5   5
M  SDS EXP  1   5
M  SAL   5  1   4
M  SBL   5  1  85
M  SMT   5 H
M  SCL   5 LGRP
M  STY  1   6 SUP
M  SLB  1   6   6
M  SDS EXP  1   6
M  SAL   6  1   5
M  SBL   6  1  96
M  SMT   6 H
M  SCL   6 LGRP
M  STY  1   7 SUP
M  SLB  1   7   7
M  SDS EXP  1   7
M  SAL   7  1   6
M  SBL   7  1 104
M  SMT   7 OH
M  SCL   7 LGRP
M  STY  1   8 SUP
M  SLB  1   8   8
M  SDS EXP  1   8
M  SAL   8  1 107
M  SBL   8  1  13
M  SMT   8 OH
M  SCL   8 LGRP
M  END
$$$$
