h00-CPT-Lb
                    3D
 Structure written by MMmdl.
148154  0  0  1  0            999 V2000
  -11.1281   12.1613    8.0099 O   0  0  0  0  0  0
  -11.8351   12.9422    4.5894 O   0  0  0  0  0  0
   -8.2149    9.1818    7.4125 O   0  0  0  0  0  0
  -12.1656   13.9439    7.0330 O   0  0  0  0  0  0
   -8.1674    9.6793    5.2112 N   0  0  0  0  0  0
   -8.0535   10.3800    1.6862 N   0  0  0  0  0  0
   -5.8804    8.7031    2.4813 C   0  0  0  0  0  0
   -6.8426    9.1666    3.3883 C   0  0  0  0  0  0
   -6.0360    9.1093    1.1370 C   0  0  0  0  0  0
   -6.9586    8.9175    4.8724 C   0  0  0  0  0  0
   -7.8754    9.9783    2.9524 C   0  0  0  0  0  0
   -8.7170   10.3109    4.0861 C   0  0  0  0  0  0
   -5.1000    8.6795    0.1665 C   0  0  0  0  0  0
  -10.4551   11.2152    5.4539 C   0  0  0  0  0  0
   -7.1444    9.9539    0.7781 C   0  0  0  0  0  0
  -11.7155   12.0431    5.6294 C   0  0  2  0  0  0
   -9.9209   10.6064    6.5391 C   0  0  0  0  0  0
   -9.8247   11.0621    4.1563 C   0  0  0  0  0  0
   -8.7110    9.7684    6.4508 C   0  0  0  0  0  0
   -5.2917    9.1054   -1.1548 C   0  0  0  0  0  0
  -10.5590   10.8518    7.8951 C   0  0  0  0  0  0
  -12.9222   11.1526    5.5978 C   0  0  0  0  0  0
   -7.2899   10.3526   -0.5686 C   0  0  0  0  0  0
   -6.3499    9.9131   -1.5094 C   0  0  0  0  0  0
  -11.6875   12.8164    6.9559 C   0  0  0  0  0  0
  -14.1606   11.9827    5.7631 C   0  0  0  0  0  0
   -6.2986   10.1733   -2.8396 O   0  0  0  0  0  0
   -5.1643    9.4971   -3.3188 C   0  0  0  0  0  0
   -4.5409    8.8320   -2.2494 O   0  0  0  0  0  0
   -4.7474    7.8236    2.9205 C   0  0  0  0  0  0
   -3.7641    5.7913    1.8846 C   0  0  0  0  0  0
   -1.8843    2.9554   -1.3707 C   0  0  1  0  0  0
   -2.6090    6.0906    2.1724 O   0  0  0  0  0  0
   -1.2487    1.6754   -1.0719 N   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0
    1.4600    0.0000    0.0000 N   0  0  0  0  0  0
    2.2343   -0.5427   -0.9401 C   0  0  0  0  0  0
    3.6918   -0.3655   -0.6331 C   0  0  0  0  0  0
    4.3447   -1.7106   -0.5134 C   0  0  0  0  0  0
    5.6856   -1.5476   -0.2309 O   0  0  0  0  0  0
    6.4423   -1.0395   -1.2671 C   0  0  0  0  0  0
    7.8711   -0.9138   -0.8280 C   0  0  0  0  0  0
    8.6278   -0.4057   -1.8642 O   0  0  0  0  0  0
    9.9687   -0.2427   -1.5818 C   0  0  0  0  0  0
   -2.2110    3.0221   -2.8332 C   0  0  0  0  0  0
   -0.2638    2.2495    0.8679 O   0  0  0  0  0  0
   -4.8106    6.5538    2.2027 N   0  0  0  0  0  0
   -2.8640    4.3371   -3.1402 C   0  0  0  0  0  0
   -3.1907    4.4038   -4.6026 C   0  0  0  0  0  0
   -3.8437    5.7189   -4.9096 C   0  0  0  0  0  0
   -2.9331    6.8067   -4.5643 N   0  0  0  0  0  0
   -0.5000   -0.7071    1.2247 C   0  0  0  0  0  0
    0.0000   -2.1213    1.2247 C   0  0  0  0  0  0
   -2.0000   -0.7071    1.2247 C   0  0  0  0  0  0
    1.7824   -1.1134   -1.9285 O   0  0  0  0  0  0
   10.2778    1.6215   -2.9831 O   0  0  0  0  0  0
   10.8574    2.2466   -4.0683 C   0  0  0  0  0  0
   10.3476    3.6540   -4.1657 C   0  0  0  0  0  0
   10.9273    4.2791   -5.2509 O   0  0  0  0  0  0
   10.5357    5.5876   -5.4480 C   0  0  0  0  0  0
   11.2364    6.1433   -6.6523 C   0  0  0  0  0  0
   12.6802    6.0939   -6.4412 N   0  0  0  0  0  0
   13.4763    5.0758   -6.7692 C   0  0  0  0  0  0
   14.9077    5.3504   -6.4148 C   0  0  0  0  0  0
   13.0614    4.0482   -7.2971 O   0  0  0  0  0  0
   15.5911    6.0145   -7.5733 C   0  0  0  0  0  0
   16.9843    6.2818   -7.2283 N   0  0  0  0  0  0
   18.0155    5.7789   -7.9027 C   0  0  0  0  0  0
   19.1786    6.2803   -7.2457 C   0  0  0  0  0  0
   18.7781    7.0486   -6.2236 C   0  0  0  0  0  0
   17.3514    7.0530   -6.2077 C   0  0  0  0  0  0
   17.9547    5.0390   -8.8839 O   0  0  0  0  0  0
   16.6005    7.6372   -5.4275 O   0  0  0  0  0  0
   10.6694    0.3130   -2.7861 C   0  0  0  0  0  0
   -4.1799    4.5527    1.1476 C   0  0  0  0  0  0
   -3.1459    3.0862   -0.5700 C   0  0  0  0  0  0
   -3.1123    4.1457    0.2387 N   0  0  0  0  0  0
   -4.1070    2.3251   -0.6322 O   0  0  0  0  0  0
  -11.0823   13.5953    4.5066 H   0  0  0  0  0  0
   -7.0868    7.8563    5.0903 H   0  0  0  0  0  0
   -6.0890    9.2986    5.4095 H   0  0  0  0  0  0
   -4.2630    8.0467    0.4191 H   0  0  0  0  0  0
  -10.2212   11.5344    3.2675 H   0  0  0  0  0  0
  -11.3306   10.1014    8.0683 H   0  0  0  0  0  0
   -9.8155   10.7365    8.6845 H   0  0  0  0  0  0
  -12.8599   10.4274    6.4092 H   0  0  0  0  0  0
  -12.9614   10.6275    4.6434 H   0  0  0  0  0  0
   -8.1109   10.9855   -0.8630 H   0  0  0  0  0  0
  -15.0375   11.3356    5.7401 H   0  0  0  0  0  0
  -14.1214   12.5078    6.7175 H   0  0  0  0  0  0
  -14.2229   12.7079    4.9517 H   0  0  0  0  0  0
   -4.4708   10.2140   -3.7599 H   0  0  0  0  0  0
   -5.4637    8.7715   -4.0761 H   0  0  0  0  0  0
   -4.8246    7.6395    3.9920 H   0  0  0  0  0  0
   -3.7997    8.3166    2.7039 H   0  0  0  0  0  0
   -1.2045    3.7675   -1.1129 H   0  0  0  0  0  0
   -1.4678    1.0197   -1.8082 H   0  0  0  0  0  0
   -0.3633   -0.5138   -0.8900 H   0  0  0  0  0  0
    1.7888    0.4775    0.8270 H   0  0  0  0  0  0
    3.8020    0.1767    0.3061 H   0  0  0  0  0  0
    4.1663    0.1985   -1.4361 H   0  0  0  0  0  0
    4.2346   -2.2528   -1.4525 H   0  0  0  0  0  0
    3.8703   -2.2747    0.2896 H   0  0  0  0  0  0
    6.0609   -0.0578   -1.5482 H   0  0  0  0  0  0
    6.3832   -1.7111   -2.1236 H   0  0  0  0  0  0
    8.2525   -1.8954   -0.5469 H   0  0  0  0  0  0
    7.9303   -0.2421    0.0284 H   0  0  0  0  0  0
   10.4048   -1.2068   -1.3204 H   0  0  0  0  0  0
   10.0826    0.4465   -0.7450 H   0  0  0  0  0  0
   -2.8908    2.2099   -3.0910 H   0  0  0  0  0  0
   -1.2942    2.9270   -3.4150 H   0  0  0  0  0  0
   -5.7750    6.3462    1.9861 H   0  0  0  0  0  0
   -2.1842    5.1492   -2.8824 H   0  0  0  0  0  0
   -3.7808    4.4322   -2.5584 H   0  0  0  0  0  0
   -3.8705    3.5917   -4.8605 H   0  0  0  0  0  0
   -2.2739    4.3087   -5.1845 H   0  0  0  0  0  0
   -4.7605    5.8139   -4.3278 H   0  0  0  0  0  0
   -4.0811    5.7673   -5.9724 H   0  0  0  0  0  0
   -2.0834    6.7190   -5.1032 H   0  0  0  0  0  0
   -3.3728    7.6924   -4.7698 H   0  0  0  0  0  0
   -0.1367   -0.1933    2.1147 H   0  0  0  0  0  0
   -0.3633   -2.6352    0.3348 H   0  0  0  0  0  0
    1.0900   -2.1213    1.2247 H   0  0  0  0  0  0
   -0.3633   -2.6352    2.1147 H   0  0  0  0  0  0
   -2.3633   -1.2209    0.3348 H   0  0  0  0  0  0
   -2.3633   -1.2209    2.1147 H   0  0  0  0  0  0
   -2.3633    0.3206    1.2247 H   0  0  0  0  0  0
   10.6029    1.7041   -4.9788 H   0  0  0  0  0  0
   11.9402    2.2602   -3.9442 H   0  0  0  0  0  0
   10.6022    4.1965   -3.2552 H   0  0  0  0  0  0
    9.2648    3.6404   -4.2899 H   0  0  0  0  0  0
   10.7952    6.1805   -4.5709 H   0  0  0  0  0  0
    9.4578    5.6245   -5.6056 H   0  0  0  0  0  0
   10.9271    7.1768   -6.8079 H   0  0  0  0  0  0
   10.9769    5.5504   -7.5293 H   0  0  0  0  0  0
   12.9786    6.9554   -6.0066 H   0  0  0  0  0  0
   15.4117    4.4116   -6.1852 H   0  0  0  0  0  0
   14.9473    6.0062   -5.5451 H   0  0  0  0  0  0
   15.0870    6.9534   -7.8028 H   0  0  0  0  0  0
   15.5515    5.3588   -8.4430 H   0  0  0  0  0  0
   20.1929    6.0596   -7.5454 H   0  0  0  0  0  0
   19.3989    7.5829   -5.5190 H   0  0  0  0  0  0
   10.4099   -0.2799   -3.6631 H   0  0  0  0  0  0
   11.7473    0.2761   -2.6285 H   0  0  0  0  0  0
   -5.0855    4.7567    0.5763 H   0  0  0  0  0  0
   -4.3736    3.7526    1.8621 H   0  0  0  0  0  0
   -2.3442    4.7963    0.3214 H   0  0  0  0  0  0
  1 21  1  0  0  0
  1 25  1  0  0  0
  2 16  1  0  0  0
  2 80  1  0  0  0
  3 19  2  0  0  0
  4 25  2  0  0  0
  5 10  1  0  0  0
  5 12  1  0  0  0
  5 19  1  0  0  0
  6 11  2  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  9 13  2  0  0  0
  9 15  1  0  0  0
 10 81  1  0  0  0
 10 82  1  0  0  0
 11 12  1  0  0  0
 12 18  2  0  0  0
 13 20  1  0  0  0
 13 83  1  0  0  0
 14 16  1  0  0  0
 14 17  2  0  0  0
 14 18  1  0  0  0
 15 23  2  0  0  0
 16 22  1  0  0  0
 16 25  1  0  0  0
 17 19  1  0  0  0
 17 21  1  0  0  0
 18 84  1  0  0  0
 20 24  2  0  0  0
 20 29  1  0  0  0
 21 85  1  0  0  0
 21 86  1  0  0  0
 22 26  1  0  0  0
 22 87  1  0  0  0
 22 88  1  0  0  0
 23 24  1  0  0  0
 23 89  1  0  0  0
 24 27  1  0  0  0
 26 90  1  0  0  0
 26 91  1  0  0  0
 26 92  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 93  1  0  0  0
 28 94  1  0  0  0
 30 48  1  0  0  0
 30 95  1  0  0  0
 30 96  1  0  0  0
 31 33  2  0  0  0
 31 48  1  0  0  0
 31 76  1  0  0  0
 32 34  1  0  0  0
 32 46  1  0  0  0
 32 77  1  0  0  0
 32 97  1  0  0  0
 34 35  1  0  0  0
 34 98  1  0  0  0
 35 36  1  0  0  0
 35 47  2  0  0  0
 36 37  1  0  0  0
 36 53  1  0  0  0
 36 99  1  0  0  0
 37 38  1  0  0  0
 37100  1  0  0  0
 38 39  1  0  0  0
 38 56  2  0  0  0
 39 40  1  0  0  0
 39101  1  0  0  0
 39102  1  0  0  0
 40 41  1  0  0  0
 40103  1  0  0  0
 40104  1  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 42105  1  0  0  0
 42106  1  0  0  0
 43 44  1  0  0  0
 43107  1  0  0  0
 43108  1  0  0  0
 44 45  1  0  0  0
 45 75  1  0  0  0
 45109  1  0  0  0
 45110  1  0  0  0
 46 49  1  0  0  0
 46111  1  0  0  0
 46112  1  0  0  0
 48113  1  0  0  0
 49 50  1  0  0  0
 49114  1  0  0  0
 49115  1  0  0  0
 50 51  1  0  0  0
 50116  1  0  0  0
 50117  1  0  0  0
 51 52  1  0  0  0
 51118  1  0  0  0
 51119  1  0  0  0
 52120  1  0  0  0
 52121  1  0  0  0
 53 54  1  0  0  0
 53 55  1  0  0  0
 53122  1  0  0  0
 54123  1  0  0  0
 54124  1  0  0  0
 54125  1  0  0  0
 55126  1  0  0  0
 55127  1  0  0  0
 55128  1  0  0  0
 57 58  1  0  0  0
 57 75  1  0  0  0
 58 59  1  0  0  0
 58129  1  0  0  0
 58130  1  0  0  0
 59 60  1  0  0  0
 59131  1  0  0  0
 59132  1  0  0  0
 60 61  1  0  0  0
 61 62  1  0  0  0
 61133  1  0  0  0
 61134  1  0  0  0
 62 63  1  0  0  0
 62135  1  0  0  0
 62136  1  0  0  0
 63 64  1  0  0  0
 63137  1  0  0  0
 64 65  1  0  0  0
 64 66  2  0  0  0
 65 67  1  0  0  0
 65138  1  0  0  0
 65139  1  0  0  0
 67 68  1  0  0  0
 67140  1  0  0  0
 67141  1  0  0  0
 68 72  1  0  0  0
 68 69  1  0  0  0
 69 70  1  0  0  0
 69 73  2  0  0  0
 70 71  2  0  0  0
 70142  1  0  0  0
 71 72  1  0  0  0
 71143  1  0  0  0
 72 74  2  0  0  0
 75144  1  0  0  0
 75145  1  0  0  0
 76 78  1  0  0  0
 76146  1  0  0  0
 76147  1  0  0  0
 77 78  1  0  0  0
 77 79  2  0  0  0
 78148  1  0  0  0
M  END
> <s_m_entry_id>
61

> <s_m_entry_name>
h00-CPT-Lb.1

> <s_m_Source_Path>
D:\Project\ADC

> <s_m_Source_File>
h00-CPT-Lb.sdf

> <i_m_Source_File_Index>
1

> <version>
0

> <chiral flag>
1

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
