Tra-Exa-PSAR0
                    3D
 Structure written by MMmdl.
133143  0  0  1  0            999 V2000
   -7.0744   17.0807    4.3717 C   0  0  0  0  0  0
   -6.0571   16.9579    5.4672 C   0  0  0  0  0  0
   -6.2673   15.6673    6.2022 C   0  0  2  0  0  0
   -7.5426   15.6931    6.7289 O   0  0  0  0  0  0
   -5.2551   15.5686    7.3539 C   0  0  0  0  0  0
   -5.5515   15.9504    8.4823 O   0  0  0  0  0  0
   -4.0331   15.0661    7.0276 O   0  0  0  0  0  0
   -3.7037   14.6236    5.7058 C   0  0  0  0  0  0
   -4.8902   14.0228    4.9719 C   0  0  0  0  0  0
   -6.1288   14.4980    5.2430 C   0  0  0  0  0  0
   -7.2872   13.9027    4.6018 C   0  0  0  0  0  0
   -7.0770   12.8893    3.7493 C   0  0  0  0  0  0
   -8.0103   12.1084    2.9579 C   0  0  0  0  0  0
   -9.3357   12.2537    2.9183 N   0  0  0  0  0  0
  -10.0474   11.4300    2.1088 C   0  0  0  0  0  0
  -11.4472   11.5582    2.0400 C   0  0  0  0  0  0
  -12.2350   10.7404    1.2254 C   0  0  0  0  0  0
  -13.5780   10.9018    1.1935 F   0  0  0  0  0  0
  -11.6266    9.7540    0.4446 C   0  0  0  0  0  0
  -12.4857    8.8812   -0.4216 C   0  0  0  0  0  0
  -10.2308    9.5816    0.4706 C   0  0  0  0  0  0
   -9.4146   10.4136    1.3019 C   0  0  0  0  0  0
   -7.9886   10.2976    1.3747 C   0  0  0  0  0  0
   -7.3099   11.1768    2.2263 C   0  0  0  0  0  0
   -5.8303   11.2958    2.5061 C   0  0  0  0  0  0
   -5.7929   12.4012    3.4708 N   0  0  0  0  0  0
   -4.6666   12.9148    4.0251 C   0  0  0  0  0  0
   -3.5530   12.4761    3.7372 O   0  0  0  0  0  0
   -7.3271    9.2231    0.5283 C   0  0  2  0  0  0
   -5.9756    9.6499    0.1776 N   0  0  0  0  0  0
   -5.6303   10.2760   -0.9429 C   0  0  0  0  0  0
   -6.4069   10.5822   -1.8408 O   0  0  0  0  0  0
   -4.2958   10.5297   -0.9547 O   0  0  0  0  0  0
   -3.8358   11.1802   -2.0815 C   0  0  2  0  0  0
   -2.3358   11.1802   -2.0815 C   0  0  0  0  0  0
   -1.8358    9.7660   -2.0815 C   0  0  0  0  0  0
   -2.0793    8.7941   -3.0402 C   0  0  0  0  0  0
   -1.4078    7.6898   -2.5811 N   0  0  0  0  0  0
   -1.3475    6.3861   -3.2355 C   0  0  0  0  0  0
   -2.7341    5.8302   -3.3712 C   0  0  0  0  0  0
   -2.6738    4.5264   -4.0255 N   0  0  0  0  0  0
   -3.6264    4.0029   -4.7978 C   0  0  0  0  0  0
   -4.6801    4.5830   -5.0424 O   0  0  0  0  0  0
   -3.2447    2.6465   -5.3121 C   0  0  0  0  0  0
   -3.0146    1.7197   -4.1554 C   0  0  0  0  0  0
   -1.7473    1.6080   -3.5958 C   0  0  0  0  0  0
   -1.5341    0.7492   -2.5241 C   0  0  0  0  0  0
   -2.5882    0.0022   -2.0118 C   0  0  0  0  0  0
   -2.3642   -0.8999   -0.8859 N   0  0  0  0  0  0
   -2.9950   -0.7866    0.2804 C   0  0  0  0  0  0
   -3.8326    0.0644    0.5774 O   0  0  0  0  0  0
   -2.4918   -1.8497    1.0881 C   0  0  0  0  0  0
   -1.5955   -2.5323    0.3629 C   0  0  0  0  0  0
   -1.5087   -1.9186   -0.9222 C   0  0  0  0  0  0
   -0.8015   -2.2441   -1.8752 O   0  0  0  0  0  0
   -3.8555    0.1139   -2.5713 C   0  0  0  0  0  0
   -4.0687    0.9727   -3.6431 C   0  0  0  0  0  0
   -0.7923    7.9563   -1.4222 N   0  0  0  0  0  0
   -1.0736    9.2755   -1.1199 N   0  0  0  0  0  0
   -4.3358   12.5944   -2.0815 C   0  0  0  0  0  0
   -5.1349   13.0490   -1.0391 C   0  0  0  0  0  0
   -5.5982   14.3593   -1.0391 C   0  0  0  0  0  0
   -5.2624   15.2151   -2.0815 C   0  0  0  0  0  0
   -5.7224   16.5162   -2.0815 O   0  0  0  0  0  0
   -6.5064   16.8576   -0.9984 C   0  0  2  0  0  0
   -7.6586   16.0098   -0.9696 O   0  0  0  0  0  0
   -8.5298   16.2431    0.1411 C   0  0  2  0  0  0
   -9.6679   15.2675    0.0846 C   0  0  0  0  0  0
  -10.2983   14.8028    1.0276 O   0  0  0  0  0  0
   -9.9228   14.9493   -1.2100 O   0  0  0  0  0  0
   -9.0648   17.6872    0.0933 C   0  0  1  0  0  0
   -9.8639   17.9324    1.1914 O   0  0  0  0  0  0
   -7.9174   18.7092    0.0266 C   0  0  2  0  0  0
   -8.4111   19.9839   -0.1625 O   0  0  0  0  0  0
   -6.9428   18.3317   -1.1017 C   0  0  1  0  0  0
   -5.8361   19.1557   -1.0768 O   0  0  0  0  0  0
   -4.4634   14.7606   -3.1239 C   0  0  0  0  0  0
   -4.1107   15.6595   -4.2189 N   0  3  0  0  0  0
   -5.0368   16.1273   -4.8701 O   0  0  0  0  0  0
   -2.9175   15.8724   -4.3967 O   0  5  0  0  0  0
   -4.0001   13.4502   -3.1239 C   0  0  0  0  0  0
   -8.0998    8.9032   -0.7385 C   0  0  0  0  0  0
   -9.5167    8.5187   -0.3506 C   0  0  0  0  0  0
   -6.9217   18.0186    3.8376 H   0  0  0  0  0  0
   -6.9651   16.2462    3.6791 H   0  0  0  0  0  0
   -8.0756   17.0668    4.8023 H   0  0  0  0  0  0
   -6.1664   17.7924    6.1598 H   0  0  0  0  0  0
   -5.0559   16.9719    5.0365 H   0  0  0  0  0  0
   -7.8025   14.8781    7.2469 H   0  0  0  0  0  0
   -2.9018   13.8890    5.7850 H   0  0  0  0  0  0
   -3.3151   15.4619    5.1275 H   0  0  0  0  0  0
   -8.2916   14.2561    4.7929 H   0  0  0  0  0  0
  -11.9262   12.3156    2.6383 H   0  0  0  0  0  0
  -11.8569    8.1716   -0.9594 H   0  0  0  0  0  0
  -13.1961    8.3378    0.2013 H   0  0  0  0  0  0
  -13.0282    9.5001   -1.1363 H   0  0  0  0  0  0
   -5.2726   11.5443    1.6021 H   0  0  0  0  0  0
   -5.4326   10.3782    2.9416 H   0  0  0  0  0  0
   -7.2199    8.3260    1.1395 H   0  0  0  0  0  0
   -5.3464    9.3930    0.9227 H   0  0  0  0  0  0
   -4.1992   10.6664   -2.9715 H   0  0  0  0  0  0
   -1.9725   11.6941   -1.1915 H   0  0  0  0  0  0
   -1.9725   11.6941   -2.9715 H   0  0  0  0  0  0
   -2.6411    8.7816   -3.9648 H   0  0  0  0  0  0
   -0.7407    5.7068   -2.6368 H   0  0  0  0  0  0
   -0.9017    6.4959   -4.2241 H   0  0  0  0  0  0
   -3.3409    6.5095   -3.9699 H   0  0  0  0  0  0
   -3.1798    5.7203   -2.3826 H   0  0  0  0  0  0
   -1.7941    4.0850   -3.7987 H   0  0  0  0  0  0
   -2.3314    2.7253   -5.9018 H   0  0  0  0  0  0
   -4.0479    2.2555   -5.9367 H   0  0  0  0  0  0
   -0.9266    2.1896   -3.9947 H   0  0  0  0  0  0
   -0.5474    0.6622   -2.0884 H   0  0  0  0  0  0
   -2.8008   -2.0437    2.1051 H   0  0  0  0  0  0
   -1.0237   -3.3971    0.6672 H   0  0  0  0  0  0
   -4.6762   -0.4677   -2.1725 H   0  0  0  0  0  0
   -5.0554    1.0596   -4.0787 H   0  0  0  0  0  0
   -5.3963   12.3827   -0.2276 H   0  0  0  0  0  0
   -6.2202   14.7133   -0.2276 H   0  0  0  0  0  0
   -5.8937   16.6936   -0.1092 H   0  0  0  0  0  0
   -8.0054   16.0523    1.0800 H   0  0  0  0  0  0
  -10.6396   14.3360   -1.2319 H   0  0  0  0  0  0
   -9.7074   17.7994   -0.7815 H   0  0  0  0  0  0
  -10.8165   18.1512    0.9805 H   0  0  0  0  0  0
   -7.3855   18.7265    0.9804 H   0  0  0  0  0  0
   -8.1969   20.6327    0.5677 H   0  0  0  0  0  0
   -7.4210   18.4938   -2.0691 H   0  0  0  0  0  0
   -5.6998   19.7053   -1.9010 H   0  0  0  0  0  0
   -3.3780   13.0963   -3.9354 H   0  0  0  0  0  0
   -7.6178    8.0963   -1.2910 H   0  0  0  0  0  0
   -8.1176    9.7750   -1.3942 H   0  0  0  0  0  0
  -10.0958    8.3183   -1.2531 H   0  0  0  0  0  0
   -9.5099    7.5905    0.2225 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 84  1  0  0  0
  1 85  1  0  0  0
  1 86  1  0  0  0
  2  3  1  0  0  0
  2 87  1  0  0  0
  2 88  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 10  1  0  0  0
  4 89  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 90  1  0  0  0
  8 91  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 92  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 22  1  0  0  0
 16 17  1  0  0  0
 16 93  1  0  0  0
 17 18  1  0  0  0
 17 19  2  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 20 94  1  0  0  0
 20 95  1  0  0  0
 20 96  1  0  0  0
 21 22  2  0  0  0
 21 83  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 29  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 97  1  0  0  0
 25 98  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29 82  1  0  0  0
 29 99  1  0  0  0
 30 31  1  0  0  0
 30100  1  0  0  0
 31 32  2  0  0  0
 31 33  1  0  0  0
 33 34  1  0  0  0
 34 35  1  0  0  0
 34 60  1  0  0  0
 34101  1  0  0  0
 35 36  1  0  0  0
 35102  1  0  0  0
 35103  1  0  0  0
 36 37  2  0  0  0
 36 59  1  0  0  0
 37 38  1  0  0  0
 37104  1  0  0  0
 38 39  1  0  0  0
 38 58  1  0  0  0
 39 40  1  0  0  0
 39105  1  0  0  0
 39106  1  0  0  0
 40 41  1  0  0  0
 40107  1  0  0  0
 40108  1  0  0  0
 41 42  1  0  0  0
 41109  1  0  0  0
 42 43  2  0  0  0
 42 44  1  0  0  0
 44 45  1  0  0  0
 44110  1  0  0  0
 44111  1  0  0  0
 45 46  2  0  0  0
 45 57  1  0  0  0
 46 47  1  0  0  0
 46112  1  0  0  0
 47 48  2  0  0  0
 47113  1  0  0  0
 48 49  1  0  0  0
 48 56  1  0  0  0
 49 50  1  0  0  0
 49 54  1  0  0  0
 50 51  2  0  0  0
 50 52  1  0  0  0
 52 53  2  0  0  0
 52114  1  0  0  0
 53 54  1  0  0  0
 53115  1  0  0  0
 54 55  2  0  0  0
 56 57  2  0  0  0
 56116  1  0  0  0
 57117  1  0  0  0
 58 59  2  0  0  0
 60 61  2  0  0  0
 60 81  1  0  0  0
 61 62  1  0  0  0
 61118  1  0  0  0
 62 63  2  0  0  0
 62119  1  0  0  0
 63 64  1  0  0  0
 63 77  1  0  0  0
 64 65  1  0  0  0
 65 66  1  0  0  0
 65 75  1  0  0  0
 65120  1  0  0  0
 66 67  1  0  0  0
 67 68  1  0  0  0
 67 71  1  0  0  0
 67121  1  0  0  0
 68 69  2  0  0  0
 68 70  1  0  0  0
 70122  1  0  0  0
 71 72  1  0  0  0
 71 73  1  0  0  0
 71123  1  0  0  0
 72124  1  0  0  0
 73 74  1  0  0  0
 73 75  1  0  0  0
 73125  1  0  0  0
 74126  1  0  0  0
 75 76  1  0  0  0
 75127  1  0  0  0
 76128  1  0  0  0
 77 78  1  0  0  0
 77 81  2  0  0  0
 78 79  2  0  0  0
 78 80  1  0  0  0
 81129  1  0  0  0
 82 83  1  0  0  0
 82130  1  0  0  0
 82131  1  0  0  0
 83132  1  0  0  0
 83133  1  0  0  0
M  CHG  2  78   1  80  -1
M  END
> <s_m_entry_id>
89

> <s_m_entry_name>
SW31.1

> <idx>
1

> <chiral flag>
0

> <version>
0

> <s_m_Source_Path>
D:\Downloads\ADC_temp

> <s_m_Source_File>
SW31.sdf

> <i_m_Source_File_Index>
1

$$$$
