BVP-PEG3-Diamine
                    3D
 Structure written by MMmdl.
 88 89  0  0  1  0            999 V2000
   -7.6146   -2.4508   -0.0035 O   0  0  0  0  0  0
   -8.5238   -1.9245   -0.8628 C   0  0  0  0  0  0
   -7.8977   -0.8535   -1.6326 N   0  0  0  0  0  0
   -9.6808   -2.3215   -0.9432 O   0  0  0  0  0  0
   -3.8540    0.4413   -1.3476 C   0  0  0  0  0  0
   -2.4912    0.6189   -1.2226 O   0  0  0  0  0  0
   -2.0762    1.1062   -0.0000 C   0  0  0  0  0  0
   -0.5832    1.2507   -0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0
    1.3800    0.0000    0.0000 C   0  0  0  0  0  0
    1.8800   -1.4142    0.0000 C   0  0  0  0  0  0
    1.6138   -1.9962   -1.2226 O   0  0  0  0  0  0
    2.0288   -3.3064   -1.3476 C   0  0  0  0  0  0
    1.1725   -4.1864   -0.4859 C   0  0  0  0  0  0
   -0.2204   -4.0747   -0.9088 N   0  0  0  0  0  0
   -0.7146   -4.3793   -2.1514 C   0  0  0  0  0  0
   -2.0716   -4.1105   -2.0555 C   0  0  0  0  0  0
   -2.3647   -3.6767   -0.8422 N   0  0  0  0  0  0
   -1.1988   -3.6480   -0.1003 N   0  0  0  0  0  0
   -3.1023   -4.2689   -3.1338 C   0  0  0  0  0  0
   -2.4629   -4.7642   -4.3493 N   0  0  0  0  0  0
   -1.9443   -4.0058   -5.3155 C   0  0  0  0  0  0
   -1.3646   -4.8338   -6.4239 C   0  0  1  0  0  0
   -1.9534   -2.7790   -5.2775 O   0  0  0  0  0  0
    0.1468   -5.0850   -6.1674 C   0  0  0  0  0  0
    0.7421   -5.8819   -7.2495 N   0  0  0  0  0  0
    0.0060   -7.1494   -7.3591 C   0  0  0  0  0  0
   -1.5054   -6.8982   -7.6156 C   0  0  0  0  0  0
   -2.1007   -6.1012   -6.5335 N   0  0  0  0  0  0
   -3.7688   -5.7733   -6.9044 S   0  0  0  0  0  0
   -4.3558   -5.0918   -5.7454 O   0  0  0  0  0  0
   -3.8181   -5.1877   -8.2485 O   0  0  0  0  0  0
   -4.4914   -7.3974   -6.9974 C   0  0  0  0  0  0
   -4.5314   -8.0719   -8.1553 C   0  0  0  0  0  0
    2.4102   -6.2099   -6.8786 S   0  0  0  0  0  0
    2.7522   -5.4566   -5.6671 O   0  0  0  0  0  0
    2.6073   -7.6610   -6.9644 O   0  0  0  0  0  0
    3.2831   -5.4661   -8.2400 C   0  0  0  0  0  0
    2.7902   -4.3930   -8.8747 C   0  0  0  0  0  0
   -6.4968   -0.5124   -1.4030 C   0  0  0  0  0  0
   -8.6726   -0.1239   -2.6320 C   0  0  0  0  0  0
   -6.4066    0.5407   -0.3387 C   0  0  0  0  0  0
   -5.7615    1.7310   -0.8852 N   0  0  0  0  0  0
   -6.6820    2.8596   -0.7836 C   0  0  0  0  0  0
   -4.5304    1.7794   -1.3949 C   0  0  0  0  0  0
   -4.0341    2.8089   -1.8427 O   0  0  0  0  0  0
   -8.0310   -3.1408    0.4873 H   0  0  0  0  0  0
   -4.2266   -0.1240   -0.4934 H   0  0  0  0  0  0
   -4.0664   -0.1059   -2.2660 H   0  0  0  0  0  0
   -2.3742    0.4137    0.7872 H   0  0  0  0  0  0
   -2.5354    2.0785    0.1785 H   0  0  0  0  0  0
   -0.2711    1.7972    0.8900 H   0  0  0  0  0  0
   -0.2711    1.7972   -0.8900 H   0  0  0  0  0  0
    1.7433    0.5138    0.8900 H   0  0  0  0  0  0
    1.7433    0.5138   -0.8900 H   0  0  0  0  0  0
    1.3783   -1.9770    0.7872 H   0  0  0  0  0  0
    2.9553   -1.4194    0.1785 H   0  0  0  0  0  0
    3.0687   -3.3898   -1.0319 H   0  0  0  0  0  0
    1.9388   -3.6184   -2.3881 H   0  0  0  0  0  0
    1.2625   -3.8745    0.5546 H   0  0  0  0  0  0
    1.5003   -5.2213   -0.5846 H   0  0  0  0  0  0
   -0.0798   -4.7421   -2.9490 H   0  0  0  0  0  0
   -3.5683   -3.3044   -3.3355 H   0  0  0  0  0  0
   -3.8627   -4.9787   -2.8081 H   0  0  0  0  0  0
   -2.4768   -5.7741   -4.3400 H   0  0  0  0  0  0
   -1.4980   -4.2589   -7.3436 H   0  0  0  0  0  0
    0.6747   -4.1337   -6.0771 H   0  0  0  0  0  0
    0.2839   -5.6077   -5.2176 H   0  0  0  0  0  0
    0.1394   -7.7243   -6.4394 H   0  0  0  0  0  0
    0.4278   -7.7520   -8.1657 H   0  0  0  0  0  0
   -2.0334   -7.8495   -7.7059 H   0  0  0  0  0  0
   -1.6425   -6.3755   -8.5654 H   0  0  0  0  0  0
   -4.8966   -7.8219   -6.0904 H   0  0  0  0  0  0
   -4.9699   -9.0575   -8.2118 H   0  0  0  0  0  0
   -4.1262   -7.6473   -9.0623 H   0  0  0  0  0  0
    4.2229   -5.9075   -8.5381 H   0  0  0  0  0  0
    3.3200   -3.9416   -9.7009 H   0  0  0  0  0  0
    1.8504   -3.9516   -8.5765 H   0  0  0  0  0  0
   -6.0589   -0.1340   -2.3266 H   0  0  0  0  0  0
   -5.9544   -1.4015   -1.0813 H   0  0  0  0  0  0
   -9.6891   -0.5162   -2.6611 H   0  0  0  0  0  0
   -8.6987    0.9339   -2.3703 H   0  0  0  0  0  0
   -8.2084   -0.2446   -3.6108 H   0  0  0  0  0  0
   -5.8205    0.1618    0.4986 H   0  0  0  0  0  0
   -7.4088    0.7963    0.0055 H   0  0  0  0  0  0
   -6.2077    3.7530   -1.1898 H   0  0  0  0  0  0
   -7.5886    2.6410   -1.3479 H   0  0  0  0  0  0
   -6.9370    3.0275    0.2628 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 47  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  5  6  1  0  0  0
  5 45  1  0  0  0
  5 48  1  0  0  0
  5 49  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 50  1  0  0  0
  7 51  1  0  0  0
  8  9  1  0  0  0
  8 52  1  0  0  0
  8 53  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 54  1  0  0  0
 10 55  1  0  0  0
 11 12  1  0  0  0
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 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 62  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
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 21 22  1  0  0  0
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 22 23  1  0  0  0
 22 24  2  0  0  0
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 25 26  1  0  0  0
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 26 27  1  0  0  0
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 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  2  0  0  0
 30 33  1  0  0  0
 33 34  2  0  0  0
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 35 36  2  0  0  0
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 45 46  2  0  0  0
M  END
> <s_m_entry_id>
25

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
