Mc-Val-Ala-PABC
                    3D
 Structure written by MMmdl.
 69 70  0  0  1  0            999 V2000
   -3.1848    8.2736   -5.1580 O   0  0  0  0  0  0
   -4.3031    7.6176   -4.6855 C   0  0  0  0  0  0
   -3.8869    6.5660   -3.7001 C   0  0  0  0  0  0
   -3.0378    5.5395   -4.0963 C   0  0  0  0  0  0
   -2.6522    4.5652   -3.1833 C   0  0  0  0  0  0
   -3.1156    4.6174   -1.8741 C   0  0  0  0  0  0
   -3.9646    5.6439   -1.4778 C   0  0  0  0  0  0
   -4.3503    6.6182   -2.3908 C   0  0  0  0  0  0
   -2.7105    3.5939   -0.9150 N   0  0  0  0  0  0
   -2.2332    2.3880   -1.2247 C   0  0  0  0  0  0
   -1.9145    1.5828    0.0000 C   0  0  2  0  0  0
   -0.4958    1.2377    0.0000 N   0  0  0  0  0  0
   -2.7345    0.3268    0.0000 C   0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  2  0  0  0
   -0.7088   -1.0022    0.0000 O   0  0  0  0  0  0
    1.9867   -0.6883   -1.1921 N   0  0  0  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
   -2.0826    2.0077   -2.3821 O   0  0  0  0  0  0
    2.5948   -0.1080   -2.2271 C   0  0  0  0  0  0
    2.9663   -1.1038   -3.2856 C   0  0  0  0  0  0
    4.1968   -0.6345   -4.0037 C   0  0  0  0  0  0
    5.3259   -0.5000   -3.0254 C   0  0  0  0  0  0
    6.5565   -0.0308   -3.7435 C   0  0  0  0  0  0
    7.6855    0.1037   -2.7651 C   0  0  0  0  0  0
    8.8832    0.5605   -3.4641 N   0  0  0  0  0  0
    9.7753   -0.2654   -4.0056 C   0  0  0  0  0  0
   10.7729    0.5779   -4.5794 C   0  0  0  0  0  0
   10.4219    1.8503   -4.3493 C   0  0  0  0  0  0
    9.1933    1.8447   -3.6240 C   0  0  0  0  0  0
    9.7288   -1.4950   -4.0002 O   0  0  0  0  0  0
    8.5419    2.8082   -3.2221 O   0  0  0  0  0  0
    2.8122    1.0989   -2.2817 O   0  0  0  0  0  0
   -2.3158    7.9530   -4.7809 H   0  0  0  0  0  0
   -4.8278    7.1483   -5.5177 H   0  0  0  0  0  0
   -4.9642    8.3328   -4.1961 H   0  0  0  0  0  0
   -2.6771    5.4989   -5.1157 H   0  0  0  0  0  0
   -1.9912    3.7660   -3.4918 H   0  0  0  0  0  0
   -4.3254    5.6845   -0.4585 H   0  0  0  0  0  0
   -5.0113    7.4174   -2.0823 H   0  0  0  0  0  0
   -2.8501    3.9466    0.0211 H   0  0  0  0  0  0
   -2.1461    2.1679    0.8900 H   0  0  0  0  0  0
    0.0494    2.0879   -0.0000 H   0  0  0  0  0  0
   -3.7936    0.5844    0.0000 H   0  0  0  0  0  0
   -2.5029   -0.2584   -0.8900 H   0  0  0  0  0  0
   -2.5029   -0.2584    0.8900 H   0  0  0  0  0  0
    1.8633    1.0277   -0.0000 H   0  0  0  0  0  0
    1.7883   -1.6749   -1.1062 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
    2.1458   -1.2015   -3.9965 H   0  0  0  0  0  0
    3.1626   -2.0706   -2.8221 H   0  0  0  0  0  0
    4.0006    0.3323   -4.4672 H   0  0  0  0  0  0
    4.4668   -1.3581   -4.7729 H   0  0  0  0  0  0
    5.5222   -1.4668   -2.5619 H   0  0  0  0  0  0
    5.0559    0.2236   -2.2562 H   0  0  0  0  0  0
    6.3602    0.9360   -4.2070 H   0  0  0  0  0  0
    6.8264   -0.7544   -4.5126 H   0  0  0  0  0  0
    7.8818   -0.8631   -2.3016 H   0  0  0  0  0  0
    7.4156    0.8273   -1.9960 H   0  0  0  0  0  0
   11.6482    0.2207   -5.1026 H   0  0  0  0  0  0
   10.9523    2.7436   -4.6464 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 21  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 44  1  0  0  0
 12 14  1  0  0  0
 12 45  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 17  1  0  0  0
 15 18  1  0  0  0
 15 49  1  0  0  0
 17 22  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 18 51  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 55  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 22 23  1  0  0  0
 22 35  2  0  0  0
 23 24  1  0  0  0
 23 58  1  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 26  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 26 27  1  0  0  0
 26 64  1  0  0  0
 26 65  1  0  0  0
 27 28  1  0  0  0
 27 66  1  0  0  0
 27 67  1  0  0  0
 28 32  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 33  2  0  0  0
 30 31  2  0  0  0
 30 68  1  0  0  0
 31 32  1  0  0  0
 31 69  1  0  0  0
 32 34  2  0  0  0
M  END
> <s_m_entry_id>
6

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
