DEAEA-duocarmycin
                    3D
 Structure written by MMmdl.
 74 79  0  0  1  0            999 V2000
   -2.3318   -0.3541    4.2890 C   0  0  0  0  0  0
   -2.5924    0.7640    4.7195 O   0  0  0  0  0  0
   -3.2371   -1.0984    3.6003 O   0  0  0  0  0  0
   -4.4686   -0.5015    3.4228 C   0  0  0  0  0  0
   -5.4919   -0.6915    4.3830 C   0  0  0  0  0  0
   -5.2538   -1.4902    5.5206 C   0  0  0  0  0  0
   -6.2700   -1.6807    6.4775 C   0  0  0  0  0  0
   -7.5289   -1.0742    6.3022 C   0  0  0  0  0  0
   -7.7767   -0.2747    5.1694 C   0  0  0  0  0  0
   -6.7624   -0.0804    4.2078 C   0  0  0  0  0  0
   -6.9659    0.7114    3.0595 C   0  0  0  0  0  0
   -5.9580    0.8958    2.1185 C   0  0  0  0  0  0
   -4.6914    0.2954    2.2788 C   0  0  0  0  0  0
   -6.4268    1.7257    1.0785 N   0  0  0  0  0  0
   -5.7254    2.1188    0.0000 C   0  0  0  0  0  0
   -6.1808    2.8456   -0.8827 O   0  0  0  0  0  0
   -4.3295    1.5696    0.0000 C   0  0  0  0  0  0
   -3.1072    2.2107    0.0000 C   0  0  0  0  0  0
   -2.0920    1.1982    0.0000 C   0  0  0  0  0  0
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   -0.6810   -1.2154    0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.3800    0.0000    0.0000 O   0  0  0  0  0  0
    1.9632    1.2507   -0.0000 C   0  0  0  0  0  0
    1.7362    1.9083    1.3289 C   0  0  0  0  0  0
    2.3532    3.2315    1.3289 N   0  0  0  0  0  0
    3.7875    3.1004    1.0899 C   0  0  0  0  0  0
    2.1311    3.8728    2.6216 C   0  0  0  0  0  0
   -0.6885    1.2136    0.0000 C   0  0  0  0  0  0
   -4.1183    0.2115    0.0000 N   0  0  0  0  0  0
   -7.8175    2.1240    1.3208 C   0  0  0  0  0  0
   -8.2143    1.4541    2.6578 C   0  0  2  0  0  0
   -8.5795    2.4684    3.7007 C   0  0  0  0  0  0
   -7.1795    3.5302    3.9913 Cl  0  0  0  0  0  0
   -1.1171   -0.9379    4.4665 O   0  0  0  0  0  0
   -0.2017   -0.1784    5.1663 C   0  0  0  0  0  0
   -0.4811    0.2222    6.4675 C   0  0  0  0  0  0
    0.4408    0.9871    7.1722 C   0  0  0  0  0  0
    1.6421    1.3515    6.5757 C   0  0  0  0  0  0
    1.9214    0.9509    5.2745 C   0  0  0  0  0  0
    0.9995    0.1860    4.5698 C   0  0  0  0  0  0
    2.6105    2.1550    7.3159 N   0  3  0  0  0  0
    3.6496    2.4428    6.7344 O   0  0  0  0  0  0
    2.3048    2.4757    8.4580 O   0  5  0  0  0  0
   -4.2920   -1.9600    5.6650 H   0  0  0  0  0  0
   -6.0828   -2.2936    7.3473 H   0  0  0  0  0  0
   -8.3062   -1.2223    7.0378 H   0  0  0  0  0  0
   -8.7462    0.1844    5.0473 H   0  0  0  0  0  0
   -3.8986    0.4283    1.5579 H   0  0  0  0  0  0
   -2.9652    3.2827    0.0000 H   0  0  0  0  0  0
   -2.5925   -2.2284    0.0000 H   0  0  0  0  0  0
   -0.1104   -2.1355   -0.0000 H   0  0  0  0  0  0
    1.5181    1.8592   -0.7872 H   0  0  0  0  0  0
    3.0340    1.1523   -0.1785 H   0  0  0  0  0  0
    2.1813    1.2998    2.1162 H   0  0  0  0  0  0
    0.6654    2.0067    1.5074 H   0  0  0  0  0  0
    4.2477    4.0885    1.0900 H   0  0  0  0  0  0
    4.2329    2.4921    1.8771 H   0  0  0  0  0  0
    3.9528    2.6227    0.1242 H   0  0  0  0  0  0
    2.5919    4.8606    2.6211 H   0  0  0  0  0  0
    1.0602    3.9716    2.7990 H   0  0  0  0  0  0
    2.5754    3.2650    3.4098 H   0  0  0  0  0  0
   -0.1488    2.1504    0.0000 H   0  0  0  0  0  0
   -4.8775   -0.4643    0.0000 H   0  0  0  0  0  0
   -8.4548    1.7855    0.5025 H   0  0  0  0  0  0
   -7.8940    3.2106    1.3827 H   0  0  0  0  0  0
   -9.0465    0.7610    2.5311 H   0  0  0  0  0  0
   -8.8430    1.9666    4.6317 H   0  0  0  0  0  0
   -9.4173    3.0735    3.3540 H   0  0  0  0  0  0
   -1.4163   -0.0615    6.9319 H   0  0  0  0  0  0
    0.2233    1.2990    8.1852 H   0  0  0  0  0  0
    2.8567    1.2346    4.8100 H   0  0  0  0  0  0
    1.2170   -0.1258    3.5567 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1 36  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 13  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 46  1  0  0  0
  7  8  2  0  0  0
  7 47  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  9 10  2  0  0  0
  9 49  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 13 50  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 19 20  2  0  0  0
 19 30  1  0  0  0
 20 21  1  0  0  0
 20 31  1  0  0  0
 21 22  2  0  0  0
 21 52  1  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 30  2  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 29  1  0  0  0
 28 58  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 61  1  0  0  0
 29 62  1  0  0  0
 29 63  1  0  0  0
 30 64  1  0  0  0
 31 65  1  0  0  0
 32 33  1  0  0  0
 32 66  1  0  0  0
 32 67  1  0  0  0
 33 34  1  0  0  0
 33 68  1  0  0  0
 34 35  1  0  0  0
 34 69  1  0  0  0
 34 70  1  0  0  0
 36 37  1  0  0  0
 37 42  1  0  0  0
 37 38  2  0  0  0
 38 39  1  0  0  0
 38 71  1  0  0  0
 39 40  2  0  0  0
 39 72  1  0  0  0
 40 41  1  0  0  0
 40 43  1  0  0  0
 41 42  2  0  0  0
 41 73  1  0  0  0
 42 74  1  0  0  0
 43 44  2  0  0  0
 43 45  1  0  0  0
M  CHG  2  43   1  45  -1
M  END
> <s_m_entry_id>
61

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
