K-lock-Val-Cit-PABC
                    3D
 Structure written by MMmdl.
 84 85  0  0  1  0            999 V2000
   -5.1145    6.5865    2.1039 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
   -2.8846    4.4668    2.9550 C   0  0  0  0  0  0
   -2.2796    3.2483    2.6705 C   0  0  0  0  0  0
   -1.8843    2.9554    1.3707 C   0  0  0  0  0  0
   -2.0939    3.8810    0.3554 C   0  0  0  0  0  0
   -2.6989    5.0994    0.6398 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
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0
   -0.2638    2.2495   -0.8679 O   0  0  0  0  0  0
    1.4600    0.0000    0.0000 N   0  0  0  0  0  0
    2.2343    0.1885   -1.0690 C   0  0  0  0  0  0
    3.6918    0.1269   -0.7199 C   0  0  2  0  0  0
    1.7824    0.3867   -2.1930 O   0  0  0  0  0  0
   -0.5000   -0.7071   -1.2247 C   0  0  0  0  0  0
   -2.0000   -0.7071   -1.2247 C   0  0  0  0  0  0
   -2.5000   -1.4142    0.0000 C   0  0  0  0  0  0
   -3.9600   -1.4142    0.0000 N   0  0  0  0  0  0
   -4.7317   -0.4773    0.5410 C   0  0  0  0  0  0
   -6.0288   -0.7279    0.3962 N   0  0  0  0  0  0
   -4.2933    0.5140    1.1132 O   0  0  0  0  0  0
    4.4464    0.9859   -1.6278 N   0  0  0  0  0  0
    4.1776   -1.2863   -0.8491 C   0  0  0  0  0  0
    3.4023   -2.1688    0.0837 C   0  0  0  0  0  0
    5.6351   -1.3479   -0.5000 C   0  0  0  0  0  0
    4.8131    0.6673   -2.8695 C   0  0  0  0  0  0
    5.5773    1.7776   -3.5277 C   0  0  0  0  0  0
    4.5443   -0.4125   -3.3878 O   0  0  0  0  0  0
    5.3400    1.7388   -5.0083 C   0  0  0  0  0  0
    3.8754    1.9078   -5.2845 C   0  0  0  0  0  0
    3.6016    1.8779   -6.6067 N   0  0  0  0  0  0
    3.0209    2.0543   -4.4052 O   0  0  0  0  0  0
    4.6977    1.7872   -7.5880 C   0  0  0  0  0  0
    4.7384    3.1389   -8.3368 C   0  0  0  0  0  0
    3.3739    3.5156   -8.9465 C   0  0  0  0  0  0
    2.2607    3.4454   -7.8828 C   0  0  0  0  0  0
    2.2405    2.0921   -7.1359 C   0  0  0  0  0  0
    3.0516    2.5744  -10.0690 C   0  0  0  0  0  0
    2.3054    3.2230  -10.9989 O   0  0  0  0  0  0
    3.3853    1.3996  -10.1753 O   0  0  0  0  0  0
   -5.4322    5.6787    1.8304 H   0  0  0  0  0  0
   -3.5131    6.9991    3.2705 H   0  0  0  0  0  0
   -3.3758    7.4669    1.5586 H   0  0  0  0  0  0
   -3.1924    4.6948    3.9670 H   0  0  0  0  0  0
   -2.1164    2.5277    3.4611 H   0  0  0  0  0  0
   -1.7861    3.6529   -0.6566 H   0  0  0  0  0  0
   -2.8621    5.8201   -0.1507 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
    1.7888   -0.1658    0.9405 H   0  0  0  0  0  0
    3.8345    0.4679    0.3055 H   0  0  0  0  0  0
   -0.1367   -1.7348   -1.2247 H   0  0  0  0  0  0
   -0.1367   -0.1933   -2.1147 H   0  0  0  0  0  0
   -2.3633   -1.2209   -2.1147 H   0  0  0  0  0  0
   -2.3633    0.3206   -1.2247 H   0  0  0  0  0  0
   -2.1367   -0.9004    0.8900 H   0  0  0  0  0  0
   -2.1367   -2.4419   -0.0000 H   0  0  0  0  0  0
   -4.2881   -2.2395   -0.4765 H   0  0  0  0  0  0
   -6.7793   -0.1443    0.7332 H   0  0  0  0  0  0
   -6.4213   -1.5319   -0.0679 H   0  0  0  0  0  0
    4.6458    1.8604   -1.1635 H   0  0  0  0  0  0
    4.0349   -1.6273   -1.8745 H   0  0  0  0  0  0
    3.5451   -1.8279    1.1091 H   0  0  0  0  0  0
    2.3432   -2.1241   -0.1700 H   0  0  0  0  0  0
    3.7554   -3.1958   -0.0102 H   0  0  0  0  0  0
    5.7778   -1.0069    0.5254 H   0  0  0  0  0  0
    5.9882   -2.3748   -0.5939 H   0  0  0  0  0  0
    6.1985   -0.7066   -1.1778 H   0  0  0  0  0  0
    6.6416    1.6548   -3.3270 H   0  0  0  0  0  0
    5.2408    2.7354   -3.1307 H   0  0  0  0  0  0
    5.6765    0.7811   -5.4052 H   0  0  0  0  0  0
    5.8954    2.5457   -5.4865 H   0  0  0  0  0  0
    5.6663    1.5657   -7.1330 H   0  0  0  0  0  0
    4.4821    0.9772   -8.2878 H   0  0  0  0  0  0
    5.4965    3.1006   -9.1206 H   0  0  0  0  0  0
    5.0607    3.9246   -7.6506 H   0  0  0  0  0  0
    3.4162    4.5127   -9.3886 H   0  0  0  0  0  0
    1.2901    3.6210   -8.3490 H   0  0  0  0  0  0
    2.3942    4.2537   -7.1611 H   0  0  0  0  0  0
    1.9951    1.2834   -7.8269 H   0  0  0  0  0  0
    1.4760    2.0897   -6.3555 H   0  0  0  0  0  0
    2.1096    2.6210  -11.6986 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  2  3  1  0  0  0
  2 44  1  0  0  0
  2 45  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 46  1  0  0  0
  5  6  2  0  0  0
  5 47  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 48  1  0  0  0
  8 49  1  0  0  0
  9 10  1  0  0  0
  9 50  1  0  0  0
 10 11  1  0  0  0
 10 12  2  0  0  0
 11 13  1  0  0  0
 11 17  1  0  0  0
 11 51  1  0  0  0
 13 14  1  0  0  0
 13 52  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 24  1  0  0  0
 15 25  1  0  0  0
 15 53  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 17 55  1  0  0  0
 18 19  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 20  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 20 21  1  0  0  0
 20 60  1  0  0  0
 21 22  1  0  0  0
 21 23  2  0  0  0
 22 61  1  0  0  0
 22 62  1  0  0  0
 24 28  1  0  0  0
 24 63  1  0  0  0
 25 26  1  0  0  0
 25 27  1  0  0  0
 25 64  1  0  0  0
 26 65  1  0  0  0
 26 66  1  0  0  0
 26 67  1  0  0  0
 27 68  1  0  0  0
 27 69  1  0  0  0
 27 70  1  0  0  0
 28 29  1  0  0  0
 28 30  2  0  0  0
 29 31  1  0  0  0
 29 71  1  0  0  0
 29 72  1  0  0  0
 31 32  1  0  0  0
 31 73  1  0  0  0
 31 74  1  0  0  0
 32 33  1  0  0  0
 32 34  2  0  0  0
 33 39  1  0  0  0
 33 35  1  0  0  0
 35 36  1  0  0  0
 35 75  1  0  0  0
 35 76  1  0  0  0
 36 37  1  0  0  0
 36 77  1  0  0  0
 36 78  1  0  0  0
 37 38  1  0  0  0
 37 40  1  0  0  0
 37 79  1  0  0  0
 38 39  1  0  0  0
 38 80  1  0  0  0
 38 81  1  0  0  0
 39 82  1  0  0  0
 39 83  1  0  0  0
 40 41  1  0  0  0
 40 42  2  0  0  0
 41 84  1  0  0  0
M  END
> <s_m_entry_id>
48

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
