
  Mrv1822 04292021092D          

 57 62  0  0  1  0            999 V2000
    2.8975   -3.0350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3405   -2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2045   -3.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0545   -1.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4778   -3.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335   -2.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7510   -4.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   -2.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922   -2.3335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7805   -3.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705   -1.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670   -1.0286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7739   -1.9271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.0895   -0.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999   -2.3210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    0.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4508   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478   -0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1880   -0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389    0.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909    0.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9258   -2.3210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -1.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3389    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    0.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7909    1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6569   -1.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    2.1513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0724    0.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722    2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4755   -2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6600   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0933    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003    2.9342    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    1.9315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4267    2.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9899   -1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906    2.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6615    2.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1653    3.2225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4999    1.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    2.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920    1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6798    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5312    1.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0287    2.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  1  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  6  0  0  0
 18 21  1  0  0  0  0
 18 22  1  1  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 28 32  1  0  0  0  0
 28 33  2  0  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 41  1  0  0  0  0
 37 42  1  0  0  0  0
 37 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  2  0  0  0  0
 40 46  1  0  0  0  0
 41 47  1  0  0  0  0
 42 48  1  0  0  0  0
 44 49  2  0  0  0  0
 45 50  1  0  0  0  0
 48 51  1  0  0  0  0
 49 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  2  0  0  0  0
 54 56  1  0  0  0  0
 54 57  1  0  0  0  0
  2  3  1  0  0  0  0
 15 17  1  0  0  0  0
 34 36  2  0  0  0  0
 38 42  2  0  0  0  0
 46 47  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
$$$$
