huB4-DGN462
                    3D
 Structure written by MMmdl.
145153  0  0  1  0            999 V2000
  -13.8820  -13.6685   -6.5908 C   0  0  2  0  0  0
  -12.9995  -12.4474   -6.7922 C   0  0  0  0  0  0
  -11.7942  -12.3569   -6.4089 N   0  0  0  0  0  0
  -11.1601  -13.4040   -5.7239 C   0  0  0  0  0  0
  -10.2986  -12.9987   -4.6816 C   0  0  0  0  0  0
   -9.5832  -13.9361   -3.9167 C   0  0  0  0  0  0
   -8.7496  -13.5090   -2.9032 O   0  0  0  0  0  0
   -8.7062  -12.1418   -2.7210 C   0  0  0  0  0  0
   -7.7688  -11.8168   -1.5960 C   0  0  0  0  0  0
   -7.5950  -12.7194   -0.5536 C   0  0  0  0  0  0
   -6.7263  -12.4184    0.4888 C   0  0  0  0  0  0
   -6.5387  -13.3925    1.6139 C   0  0  0  0  0  0
   -7.4571  -13.1279    2.6094 O   0  0  0  0  0  0
   -7.3850  -13.9624    3.7061 C   0  0  0  0  0  0
   -8.2706  -13.7890    4.7842 C   0  0  0  0  0  0
   -9.2177  -12.7859    4.7494 O   0  0  0  0  0  0
  -10.0303  -12.7120    5.8623 C   0  0  0  0  0  0
   -8.1746  -14.6286    5.9099 C   0  0  0  0  0  0
   -7.2133  -15.6657    5.9663 C   0  0  0  0  0  0
   -7.1211  -16.4900    7.2288 C   0  0  0  0  0  0
   -7.2946  -15.9288    8.3149 O   0  0  0  0  0  0
   -6.9220  -17.8255    7.0901 N   0  0  0  0  0  0
   -6.8159  -18.7728    8.1413 C   0  0  0  0  0  0
   -6.8878  -20.0614    7.6231 C   0  0  0  0  0  0
   -6.7827  -21.1969    8.4459 C   0  0  0  0  0  0
   -6.5945  -21.0027    9.8309 C   0  0  0  0  0  0
   -6.5233  -19.6963   10.3679 C   0  0  0  0  0  0
   -6.6327  -18.5678    9.5271 C   0  0  0  0  0  0
   -7.0589  -20.0371    6.1327 C   0  0  0  0  0  0
   -6.9687  -18.5264    5.7931 C   0  0  2  0  0  0
   -5.7425  -18.2170    4.9023 C   0  0  0  0  0  0
   -5.3254  -16.8190    4.8462 N   0  0  0  0  0  0
   -6.3250  -15.8392    4.8690 C   0  0  0  0  0  0
   -6.4150  -14.9797    3.7540 C   0  0  0  0  0  0
   -6.0316  -11.2146    0.4887 C   0  0  0  0  0  0
   -6.2054  -10.3120   -0.5538 C   0  0  0  0  0  0
   -5.4755   -9.0476   -0.5539 N   0  0  0  0  0  0
   -6.2058   -7.7833   -0.5539 C   0  0  0  0  0  0
   -6.4558   -7.3503    0.8603 C   0  0  0  0  0  0
   -5.2501   -7.1851    1.5108 O   0  0  0  0  0  0
   -5.3480   -6.7853    2.8280 C   0  0  0  0  0  0
   -5.8985   -7.9110    3.6526 C   0  0  0  0  0  0
   -5.9964   -7.5112    4.9698 O   0  0  0  0  0  0
   -6.9735   -6.5699    5.2225 C   0  0  0  0  0  0
   -6.9713   -6.2266    6.6826 C   0  0  0  0  0  0
   -7.9483   -5.2853    6.9353 O   0  0  0  0  0  0
   -8.0463   -4.8855    8.2525 C   0  0  0  0  0  0
   -4.0155   -9.0476   -0.5539 C   0  0  0  0  0  0
   -3.5155   -9.0476   -1.9681 C   0  0  0  0  0  0
   -4.0155  -10.2723   -2.6752 C   0  0  0  0  0  0
   -4.0155   -7.8228   -2.6752 C   0  0  0  0  0  0
   -1.7355   -9.0476   -1.9681 S   0  0  0  0  0  0
   -1.6611   -9.0476   -4.0268 S   0  0  0  0  0  0
   -0.7699   -7.5071   -4.0589 C   0  0  0  0  0  0
    0.5531   -7.7088   -4.7363 C   0  0  0  0  0  0
    1.3500   -8.7318   -3.9823 C   0  0  2  0  0  0
    1.5748   -8.2548   -2.5780 C   0  0  0  0  0  0
    1.0574   -9.0942   -1.6805 N   0  0  0  0  0  0
    2.1601   -7.2222   -2.2654 O   0  0  0  0  0  0
    2.9200   -8.9712   -4.7861 S   0  0  0  0  0  0
    2.9002   -8.2044   -6.0366 O   0  0  0  0  0  0
    3.9688   -8.7755   -3.7792 O   0  0  0  0  0  0
    2.9001  -10.5826   -5.1843 O   0  0  0  0  0  0
   -7.0740  -10.6131   -1.5961 C   0  0  0  0  0  0
   -9.7098  -15.3056   -4.1963 C   0  0  0  0  0  0
   -8.9998  -16.2325   -3.4607 O   0  0  0  0  0  0
   -9.2046  -17.5474   -3.8258 C   0  0  0  0  0  0
  -10.5509  -15.7278   -5.2410 C   0  0  0  0  0  0
  -11.2913  -14.8009   -6.0133 C   0  0  0  0  0  0
  -12.1300  -15.3582   -7.1435 C   0  0  0  0  0  0
  -11.6998  -16.3297   -7.7685 O   0  0  0  0  0  0
  -13.3548  -14.8099   -7.3577 N   0  0  0  0  0  0
  -14.3315  -15.2495   -8.2928 C   0  0  0  0  0  0
  -15.4902  -14.4907   -8.1572 C   0  0  0  0  0  0
  -16.6236  -14.7127   -8.9584 C   0  0  0  0  0  0
  -16.5668  -15.7396   -9.9241 C   0  0  0  0  0  0
  -15.3947  -16.5161  -10.0730 C   0  0  0  0  0  0
  -14.2654  -16.2784   -9.2592 C   0  0  0  0  0  0
  -15.3385  -13.4536   -7.0849 C   0  0  0  0  0  0
  -13.4734  -11.6146   -7.3179 H   0  0  0  0  0  0
  -13.9035  -13.9218   -5.5294 H   0  0  0  0  0  0
  -10.1815  -11.9467   -4.4632 H   0  0  0  0  0  0
   -9.7041  -11.7756   -2.4797 H   0  0  0  0  0  0
   -8.3553  -11.6643   -3.6358 H   0  0  0  0  0  0
   -8.1359  -13.6566   -0.5535 H   0  0  0  0  0  0
   -5.5299  -13.2946    2.0148 H   0  0  0  0  0  0
   -6.6859  -14.4073    1.2442 H   0  0  0  0  0  0
  -10.7403  -11.8941    5.7402 H   0  0  0  0  0  0
  -10.5732  -13.6500    5.9787 H   0  0  0  0  0  0
   -9.4192  -12.5337    6.7471 H   0  0  0  0  0  0
   -8.8400  -14.4699    6.7472 H   0  0  0  0  0  0
   -6.8369  -22.1931    8.0307 H   0  0  0  0  0  0
   -6.5026  -21.8565   10.4856 H   0  0  0  0  0  0
   -6.3780  -19.5585   11.4297 H   0  0  0  0  0  0
   -6.5621  -17.5768    9.9504 H   0  0  0  0  0  0
   -8.0315  -20.4513    5.8631 H   0  0  0  0  0  0
   -6.2831  -20.6305    5.6477 H   0  0  0  0  0  0
   -7.8823  -18.2337    5.2703 H   0  0  0  0  0  0
   -5.9227  -18.5762    3.8875 H   0  0  0  0  0  0
   -4.8843  -18.7794    5.2735 H   0  0  0  0  0  0
   -4.5665  -16.6397    4.2026 H   0  0  0  0  0  0
   -5.7372  -15.0945    2.9206 H   0  0  0  0  0  0
   -5.3553  -10.9802    1.3002 H   0  0  0  0  0  0
   -7.1581   -7.9138   -1.0677 H   0  0  0  0  0  0
   -5.6168   -7.0236   -1.0677 H   0  0  0  0  0  0
   -7.0448   -8.1101    1.3741 H   0  0  0  0  0  0
   -7.0010   -6.4065    0.8603 H   0  0  0  0  0  0
   -6.0131   -5.9246    2.8980 H   0  0  0  0  0  0
   -4.3602   -6.5123    3.1993 H   0  0  0  0  0  0
   -5.2334   -8.7716    3.5826 H   0  0  0  0  0  0
   -6.8863   -8.1840    3.2814 H   0  0  0  0  0  0
   -7.9473   -6.9737    4.9456 H   0  0  0  0  0  0
   -6.7729   -5.6721    4.6378 H   0  0  0  0  0  0
   -5.9975   -5.8228    6.9595 H   0  0  0  0  0  0
   -7.1719   -7.1244    7.2673 H   0  0  0  0  0  0
   -8.8408   -4.1457    8.3495 H   0  0  0  0  0  0
   -8.2749   -5.7484    8.8781 H   0  0  0  0  0  0
   -7.1005   -4.4467    8.5703 H   0  0  0  0  0  0
   -3.6522   -9.9376   -0.0401 H   0  0  0  0  0  0
   -3.6522   -8.1576   -0.0401 H   0  0  0  0  0  0
   -5.1055  -10.2723   -2.6752 H   0  0  0  0  0  0
   -3.6522  -10.2723   -3.7029 H   0  0  0  0  0  0
   -3.6522  -11.1623   -2.1614 H   0  0  0  0  0  0
   -5.1055   -7.8228   -2.6752 H   0  0  0  0  0  0
   -3.6522   -6.9328   -2.1614 H   0  0  0  0  0  0
   -3.6522   -7.8228   -3.7029 H   0  0  0  0  0  0
   -0.6066   -7.1605   -3.0385 H   0  0  0  0  0  0
   -1.3490   -6.7637   -4.6068 H   0  0  0  0  0  0
    1.0988   -6.7655   -4.7559 H   0  0  0  0  0  0
    0.3898   -8.0554   -5.7567 H   0  0  0  0  0  0
    0.8043   -9.6751   -3.9626 H   0  0  0  0  0  0
    1.0904   -8.9744   -0.6781 H   0  0  0  0  0  0
    0.5693   -9.9524   -1.8932 H   0  0  0  0  0  0
    3.7187  -10.9117   -5.6551 H   0  0  0  0  0  0
   -7.2093   -9.9104   -2.4077 H   0  0  0  0  0  0
   -8.6040  -18.1986   -3.1906 H   0  0  0  0  0  0
  -10.2590  -17.7972   -3.7082 H   0  0  0  0  0  0
   -8.9124  -17.6852   -4.8668 H   0  0  0  0  0  0
  -10.6229  -16.7847   -5.4589 H   0  0  0  0  0  0
  -17.5158  -14.1146   -8.8415 H   0  0  0  0  0  0
  -17.4227  -15.9334  -10.5545 H   0  0  0  0  0  0
  -15.3606  -17.2993  -10.8165 H   0  0  0  0  0  0
  -13.3819  -16.8846   -9.3946 H   0  0  0  0  0  0
  -15.5320  -12.4608   -7.4934 H   0  0  0  0  0  0
  -16.0590  -13.6407   -6.2880 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 72  1  0  0  0
  1 79  1  0  0  0
  1 81  1  0  0  0
  2  3  2  0  0  0
  2 80  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 69  1  0  0  0
  5  6  1  0  0  0
  5 82  1  0  0  0
  6  7  1  0  0  0
  6 65  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 83  1  0  0  0
  8 84  1  0  0  0
  9 10  2  0  0  0
  9 64  1  0  0  0
 10 11  1  0  0  0
 10 85  1  0  0  0
 11 12  1  0  0  0
 11 35  2  0  0  0
 12 13  1  0  0  0
 12 86  1  0  0  0
 12 87  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 17 88  1  0  0  0
 17 89  1  0  0  0
 17 90  1  0  0  0
 18 19  2  0  0  0
 18 91  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 22 23  1  0  0  0
 22 30  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 29  1  0  0  0
 25 26  2  0  0  0
 25 92  1  0  0  0
 26 27  1  0  0  0
 26 93  1  0  0  0
 27 28  2  0  0  0
 27 94  1  0  0  0
 28 95  1  0  0  0
 29 30  1  0  0  0
 29 96  1  0  0  0
 29 97  1  0  0  0
 30 31  1  0  0  0
 30 98  1  0  0  0
 31 32  1  0  0  0
 31 99  1  0  0  0
 31100  1  0  0  0
 32 33  1  0  0  0
 32101  1  0  0  0
 33 34  2  0  0  0
 34102  1  0  0  0
 35 36  1  0  0  0
 35103  1  0  0  0
 36 37  1  0  0  0
 36 64  2  0  0  0
 37 38  1  0  0  0
 37 48  1  0  0  0
 38 39  1  0  0  0
 38104  1  0  0  0
 38105  1  0  0  0
 39 40  1  0  0  0
 39106  1  0  0  0
 39107  1  0  0  0
 40 41  1  0  0  0
 41 42  1  0  0  0
 41108  1  0  0  0
 41109  1  0  0  0
 42 43  1  0  0  0
 42110  1  0  0  0
 42111  1  0  0  0
 43 44  1  0  0  0
 44 45  1  0  0  0
 44112  1  0  0  0
 44113  1  0  0  0
 45 46  1  0  0  0
 45114  1  0  0  0
 45115  1  0  0  0
 46 47  1  0  0  0
 47116  1  0  0  0
 47117  1  0  0  0
 47118  1  0  0  0
 48 49  1  0  0  0
 48119  1  0  0  0
 48120  1  0  0  0
 49 50  1  0  0  0
 49 51  1  0  0  0
 49 52  1  0  0  0
 50121  1  0  0  0
 50122  1  0  0  0
 50123  1  0  0  0
 51124  1  0  0  0
 51125  1  0  0  0
 51126  1  0  0  0
 52 53  1  0  0  0
 53 54  1  0  0  0
 54 55  1  0  0  0
 54127  1  0  0  0
 54128  1  0  0  0
 55 56  1  0  0  0
 55129  1  0  0  0
 55130  1  0  0  0
 56 57  1  0  0  0
 56 60  1  0  0  0
 56131  1  0  0  0
 57 58  1  0  0  0
 57 59  2  0  0  0
 58132  1  0  0  0
 58133  1  0  0  0
 60 61  2  0  0  0
 60 62  2  0  0  0
 60 63  1  0  0  0
 63134  1  0  0  0
 64135  1  0  0  0
 65 66  1  0  0  0
 65 68  1  0  0  0
 66 67  1  0  0  0
 67136  1  0  0  0
 67137  1  0  0  0
 67138  1  0  0  0
 68 69  2  0  0  0
 68139  1  0  0  0
 69 70  1  0  0  0
 70 71  2  0  0  0
 70 72  1  0  0  0
 72 73  1  0  0  0
 73 74  2  0  0  0
 73 78  1  0  0  0
 74 75  1  0  0  0
 74 79  1  0  0  0
 75 76  2  0  0  0
 75140  1  0  0  0
 76 77  1  0  0  0
 76141  1  0  0  0
 77 78  2  0  0  0
 77142  1  0  0  0
 78143  1  0  0  0
 79144  1  0  0  0
 79145  1  0  0  0
M  END
> <s_m_entry_id>
22

> <s_m_entry_name>
SW5.1

> <chiral flag>
0

> <version>
0

> <s_m_Source_Path>
D:\Downloads\ADC_temp

> <s_m_Source_File>
SW5.sdf

> <i_m_Source_File_Index>
1

> <idx>
1

$$$$
