Gly3-Val-Cit-PABC
                    3D
 Structure written by MMmdl.
 86 85  0  0  1  0            999 V2000
   -5.5354    2.4366   -3.9787 O   0  0  0  0  0  0
   -4.3649    2.6762   -4.2524 C   0  0  0  0  0  0
   -3.5524    3.3677   -3.4602 N   0  0  0  0  0  0
   -3.9140    3.9402   -2.1667 C   0  0  0  0  0  0
   -3.7752    2.2716   -5.3725 N   0  0  0  0  0  0
   -1.7962    3.1852    1.8170 O   0  0  0  0  0  0
   -2.2860    2.1709    1.3289 C   0  0  0  0  0  0
   -3.2304    1.4559    1.9410 N   0  0  0  0  0  0
   -3.8109    1.7587    3.2460 C   0  0  0  0  0  0
   -0.7088   -1.0022   -0.0000 O   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
   -0.4958    1.2377    0.0000 N   0  0  0  0  0  0
   -1.9145    1.5828   -0.0000 C   0  0  2  0  0  0
    1.7296   -2.8038   -0.4705 O   0  0  0  0  0  0
    2.0670   -2.0105   -1.3442 C   0  0  0  0  0  0
    1.9867   -0.6883   -1.1921 N   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  2  0  0  0
    2.0000   -0.7071    1.2247 C   0  0  0  0  0  0
    1.5000    0.0000    2.4495 C   0  0  0  0  0  0
    3.5000   -0.7071    1.2247 C   0  0  0  0  0  0
   -2.1855    2.5842   -1.0834 C   0  0  0  0  0  0
   -5.5123    2.6461    7.0713 C   0  0  0  0  0  0
   -4.9159    2.3351    5.7305 C   0  0  0  0  0  0
   -5.5935    1.5066    4.8439 C   0  0  0  0  0  0
   -3.6858    2.8754    5.3749 C   0  0  0  0  0  0
   -5.0410    1.2184    3.6016 C   0  0  0  0  0  0
   -3.1333    2.5872    4.1326 C   0  0  0  0  0  0
   -3.6430    2.9387   -1.0834 C   0  0  0  0  0  0
    2.6109   -2.3849   -2.6910 C   0  0  0  0  0  0
    3.8389   -3.1564   -2.5226 N   0  0  0  0  0  0
    3.9411   -4.3180   -1.8760 C   0  0  0  0  0  0
    5.3463   -4.8424   -1.8899 C   0  0  0  0  0  0
    5.3993   -6.1116   -1.1701 N   0  0  0  0  0  0
    5.2196   -7.3168   -1.7114 C   0  0  0  0  0  0
    5.3403   -8.4100   -0.6915 C   0  0  0  0  0  0
    4.0881   -9.1582   -0.6295 N   0  0  0  0  0  0
    2.9836   -4.8703   -1.3421 O   0  0  0  0  0  0
    4.9848   -7.4835   -2.9047 O   0  0  0  0  0  0
   -5.0934    1.7058    7.9904 O   0  0  0  0  0  0
   10.2316    1.1481    0.0000 C   0  0  0  0  0  0
   10.9237    0.0000    0.0000 C   0  0  0  0  0  0
   12.4237    0.0000    0.0000 C   0  0  0  0  0  0
   -2.5869    3.5817   -3.6554 H   0  0  0  0  0  0
   -4.9731    4.1978   -2.1667 H   0  0  0  0  0  0
   -3.3218    4.8377   -1.9882 H   0  0  0  0  0  0
   -2.8167    2.4515   -5.6272 H   0  0  0  0  0  0
   -4.2145    1.7351   -6.1050 H   0  0  0  0  0  0
   -3.6598    0.6175    1.5766 H   0  0  0  0  0  0
    0.0494    2.0879   -0.0000 H   0  0  0  0  0  0
   -2.5067    0.6853   -0.1785 H   0  0  0  0  0  0
    2.2526   -0.0012   -1.8829 H   0  0  0  0  0  0
    1.8633    1.0277    0.0000 H   0  0  0  0  0  0
    1.6367   -1.7348    1.2247 H   0  0  0  0  0  0
    1.8633    1.0277    2.4495 H   0  0  0  0  0  0
    0.4100    0.0000    2.4495 H   0  0  0  0  0  0
    1.8633   -0.5138    3.3395 H   0  0  0  0  0  0
    3.8633    0.3206    1.2247 H   0  0  0  0  0  0
    3.8633   -1.2209    2.1147 H   0  0  0  0  0  0
    3.8633   -1.2209    0.3348 H   0  0  0  0  0  0
   -1.9155    2.1568   -2.0490 H   0  0  0  0  0  0
   -1.5932    3.4817   -0.9049 H   0  0  0  0  0  0
   -6.5997    2.6244    6.9992 H   0  0  0  0  0  0
   -5.1891    3.6365    7.3918 H   0  0  0  0  0  0
   -6.5513    1.0859    5.1208 H   0  0  0  0  0  0
   -3.1583    3.5204    6.0652 H   0  0  0  0  0  0
   -5.5685    0.5734    2.9113 H   0  0  0  0  0  0
   -2.1756    3.0078    3.8557 H   0  0  0  0  0  0
   -3.9129    3.3661   -0.1177 H   0  0  0  0  0  0
   -4.2352    2.0412   -1.2618 H   0  0  0  0  0  0
    2.8252   -1.4806   -3.2606 H   0  0  0  0  0  0
    1.8751   -2.9854   -3.2259 H   0  0  0  0  0  0
    4.5986   -2.6682   -2.9750 H   0  0  0  0  0  0
    6.0075   -4.1230   -1.4068 H   0  0  0  0  0  0
    5.6668   -4.9955   -2.9204 H   0  0  0  0  0  0
    5.5939   -5.9293   -0.1960 H   0  0  0  0  0  0
    5.5518   -7.9742    0.2850 H   0  0  0  0  0  0
    6.1513   -9.0816   -0.9730 H   0  0  0  0  0  0
    4.1689   -9.8944    0.0572 H   0  0  0  0  0  0
    3.3361   -8.5360   -0.3698 H   0  0  0  0  0  0
   -5.4445    1.8355    8.9177 H   0  0  0  0  0  0
    9.1513    1.1481    0.0000 H   0  0  0  0  0  0
   10.7360    2.1034   -0.0000 H   0  0  0  0  0  0
   10.4193   -0.9553    0.0000 H   0  0  0  0  0  0
   12.7871   -1.0277   -0.0000 H   0  0  0  0  0  0
   12.7871    0.5138   -0.8900 H   0  0  0  0  0  0
   12.7871    0.5138    0.8900 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  3  4  1  0  0  0
  3 43  1  0  0  0
  4 28  1  0  0  0
  4 44  1  0  0  0
  4 45  1  0  0  0
  5 46  1  0  0  0
  5 47  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  9 26  2  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 49  1  0  0  0
 13 21  1  0  0  0
 13 50  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 17 18  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 18 53  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 57  1  0  0  0
 20 58  1  0  0  0
 20 59  1  0  0  0
 21 28  1  0  0  0
 21 60  1  0  0  0
 21 61  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 22 62  1  0  0  0
 22 63  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 26  1  0  0  0
 24 64  1  0  0  0
 25 27  2  0  0  0
 25 65  1  0  0  0
 26 66  1  0  0  0
 27 67  1  0  0  0
 28 68  1  0  0  0
 28 69  1  0  0  0
 29 30  1  0  0  0
 29 70  1  0  0  0
 29 71  1  0  0  0
 30 31  1  0  0  0
 30 72  1  0  0  0
 31 32  1  0  0  0
 31 37  2  0  0  0
 32 33  1  0  0  0
 32 73  1  0  0  0
 32 74  1  0  0  0
 33 34  1  0  0  0
 33 75  1  0  0  0
 34 35  1  0  0  0
 34 38  2  0  0  0
 35 36  1  0  0  0
 35 76  1  0  0  0
 35 77  1  0  0  0
 36 78  1  0  0  0
 36 79  1  0  0  0
 39 80  1  0  0  0
 40 41  2  0  0  0
 40 81  1  0  0  0
 40 82  1  0  0  0
 41 42  1  0  0  0
 41 83  1  0  0  0
 42 84  1  0  0  0
 42 85  1  0  0  0
 42 86  1  0  0  0
M  END
> <s_m_entry_id>
49

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
