Mal-Val-Cit-PABC
                    3D
 Structure written by MMmdl.
 66 67  0  0  1  0            999 V2000
   -4.2523    7.2528   -1.0839 O   0  0  0  0  0  0
   -3.7472    6.7074   -2.2466 C   0  0  0  0  0  0
   -3.0943    5.3923   -1.9396 C   0  0  0  0  0  0
   -3.5569    4.2291   -2.5433 C   0  0  0  0  0  0
   -2.9519    3.0106   -2.2589 C   0  0  0  0  0  0
   -1.8843    2.9554   -1.3707 C   0  0  0  0  0  0
   -1.2487    1.6754   -1.0719 N   0  0  0  0  0  0
   -0.5000    1.4142    0.0000 C   0  0  0  0  0  0
   -0.2638    2.2495    0.8679 O   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0
   -0.5000   -0.7071    1.2247 C   0  0  0  0  0  0
   -0.0000   -2.1213    1.2247 C   0  0  0  0  0  0
   -0.5000   -2.8284    2.4495 C   0  0  0  0  0  0
   -1.9600   -2.8284    2.4495 N   0  0  0  0  0  0
   -2.7317   -3.7654    1.9085 C   0  0  0  0  0  0
   -4.0288   -3.5147    2.0533 N   0  0  0  0  0  0
   -2.2933   -4.7566    1.3363 O   0  0  0  0  0  0
    1.4600    0.0000    0.0000 N   0  0  0  0  0  0
    2.2343   -0.5427   -0.9401 C   0  0  0  0  0  0
    1.7824   -1.1134   -1.9285 O   0  0  0  0  0  0
    3.6918   -0.3655   -0.6331 C   0  0  1  0  0  0
    4.1647   -1.5001    0.1548 N   0  0  0  0  0  0
    3.9901   -1.6578    1.4672 C   0  0  0  0  0  0
    3.3966   -0.8399    2.1640 O   0  0  0  0  0  0
    4.5848   -2.9014    1.9484 N   0  0  0  0  0  0
    5.2212   -3.7629    1.1585 C   0  0  0  0  0  0
    5.3991   -3.6474   -0.0536 O   0  0  0  0  0  0
    5.6397   -4.8244    2.0151 C   0  0  0  0  0  0
    5.2321   -4.5380    3.2590 C   0  0  0  0  0  0
    4.5453   -3.2879    3.2212 C   0  0  0  0  0  0
    4.0208   -2.6789    4.1529 O   0  0  0  0  0  0
    4.4671   -0.2891   -1.9149 C   0  0  0  0  0  0
    5.9246   -0.1118   -1.6079 C   0  0  0  0  0  0
    3.9812    0.8766   -2.7243 C   0  0  0  0  0  0
   -1.4217    4.1186   -0.7670 C   0  0  0  0  0  0
   -2.0267    5.3371   -1.0515 C   0  0  0  0  0  0
   -4.7081    8.1359   -1.1946 H   0  0  0  0  0  0
   -3.0113    7.3868   -2.6768 H   0  0  0  0  0  0
   -4.5586    6.5529   -2.9579 H   0  0  0  0  0  0
   -4.3880    4.2721   -3.2348 H   0  0  0  0  0  0
   -3.3120    2.1050   -2.7289 H   0  0  0  0  0  0
   -1.4678    1.0197   -1.8082 H   0  0  0  0  0  0
   -0.3633   -0.5138   -0.8900 H   0  0  0  0  0  0
   -1.5900   -0.7071    1.2247 H   0  0  0  0  0  0
   -0.1367   -0.1933    2.1147 H   0  0  0  0  0  0
    1.0900   -2.1213    1.2247 H   0  0  0  0  0  0
   -0.3633   -2.6352    0.3348 H   0  0  0  0  0  0
   -0.1367   -2.3146    3.3395 H   0  0  0  0  0  0
   -0.1367   -3.8561    2.4495 H   0  0  0  0  0  0
   -2.2881   -2.0031    2.9260 H   0  0  0  0  0  0
   -4.7793   -4.0983    1.7163 H   0  0  0  0  0  0
   -4.4213   -2.7108    2.5174 H   0  0  0  0  0  0
    1.7888    0.4775    0.8270 H   0  0  0  0  0  0
    3.8345    0.5548   -0.0667 H   0  0  0  0  0  0
    4.6453   -2.1462   -0.4548 H   0  0  0  0  0  0
    6.1889   -5.6948    1.6863 H   0  0  0  0  0  0
    5.3808   -5.1270    4.1525 H   0  0  0  0  0  0
    4.3244   -1.2094   -2.4813 H   0  0  0  0  0  0
    6.0673    0.8085   -1.0415 H   0  0  0  0  0  0
    6.2776   -0.9589   -1.0197 H   0  0  0  0  0  0
    6.4879   -0.0563   -2.5394 H   0  0  0  0  0  0
    4.1239    1.7969   -2.1580 H   0  0  0  0  0  0
    4.5446    0.9321   -3.6558 H   0  0  0  0  0  0
    2.9221    0.7478   -2.9474 H   0  0  0  0  0  0
   -0.5905    4.0756   -0.0755 H   0  0  0  0  0  0
   -1.6665    6.2428   -0.5815 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 18  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 13 49  1  0  0  0
 14 15  1  0  0  0
 14 50  1  0  0  0
 15 16  1  0  0  0
 15 17  2  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21 22  1  0  0  0
 21 32  1  0  0  0
 21 54  1  0  0  0
 22 23  1  0  0  0
 22 55  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 26  1  0  0  0
 25 30  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32 34  1  0  0  0
 32 58  1  0  0  0
 33 59  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 34 62  1  0  0  0
 34 63  1  0  0  0
 34 64  1  0  0  0
 35 36  2  0  0  0
 35 65  1  0  0  0
 36 66  1  0  0  0
M  END
> <s_m_entry_id>
12

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
