REMARK Name = BDB032120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.953 -0.152 -0.738 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.484 0.908 -1.503 0.00 0.00 +0.136 A ATOM 3 N LIG 1 0.814 1.306 -1.537 0.00 0.00 -0.238 NA ATOM 4 C LIG 1 1.706 0.638 -0.790 0.00 0.00 +0.125 A ATOM 5 C LIG 1 1.330 -0.437 0.006 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -0.010 -0.833 0.032 0.00 0.00 +0.028 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -3.366 -0.071 -1.373 0.00 0.00 +0.222 C ATOM 8 N LIG 1 -2.293 -0.591 -0.672 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -2.467 -1.384 -0.069 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -3.312 0.859 -2.171 0.00 0.00 -0.275 OA BRANCH 7 14 ATOM 11 C LIG 1 -7.346 -0.465 1.573 0.00 0.00 +0.239 C ATOM 12 N LIG 1 -6.376 -1.043 0.769 0.00 0.00 -0.297 N ATOM 13 C LIG 1 -5.118 -0.399 0.377 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.705 -0.733 -1.061 0.00 0.00 +0.093 C ATOM 15 C LIG 1 -4.705 -2.240 -1.368 0.00 0.00 +0.016 C ATOM 16 C LIG 1 -5.441 -3.061 -0.312 0.00 0.00 +0.020 C ATOM 17 C LIG 1 -6.690 -2.338 0.173 0.00 0.00 +0.108 C ATOM 18 O LIG 1 -8.474 -0.930 1.716 0.00 0.00 -0.271 OA BRANCH 11 20 ATOM 19 C LIG 1 -6.018 0.854 3.181 0.00 0.00 +0.013 C ATOM 20 C LIG 1 -7.008 0.793 2.281 0.00 0.00 +0.060 C ENDBRANCH 11 20 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 21 ATOM 21 N LIG 1 3.054 0.999 -0.785 0.00 0.00 -0.265 N ATOM 22 H LIG 1 3.695 0.467 -0.212 0.00 0.00 +0.157 HD ATOM 23 C LIG 1 3.626 2.036 -1.491 0.00 0.00 +0.268 C ATOM 24 O LIG 1 3.078 2.834 -2.240 0.00 0.00 -0.268 OA BRANCH 23 25 ATOM 25 C LIG 1 5.106 2.142 -1.259 0.00 0.00 +0.126 A ATOM 26 N LIG 1 5.660 1.194 -0.443 0.00 0.00 -0.241 NA ATOM 27 C LIG 1 6.994 1.297 -0.227 0.00 0.00 +0.089 A ATOM 28 C LIG 1 7.785 2.297 -0.785 0.00 0.00 +0.030 A ATOM 29 C LIG 1 7.189 3.245 -1.612 0.00 0.00 +0.004 A ATOM 30 C LIG 1 5.824 3.170 -1.858 0.00 0.00 +0.033 A BRANCH 27 31 ATOM 31 C LIG 1 7.544 0.268 0.642 0.00 0.00 +0.084 A ATOM 32 N LIG 1 6.790 -0.783 1.095 0.00 0.00 -0.275 N ATOM 33 H LIG 1 5.815 -0.961 0.887 0.00 0.00 +0.189 HD ATOM 34 N LIG 1 7.452 -1.640 1.890 0.00 0.00 -0.182 NA ATOM 35 C LIG 1 8.680 -1.124 1.946 0.00 0.00 +0.135 A ATOM 36 C LIG 1 8.796 0.058 1.190 0.00 0.00 +0.050 A ENDBRANCH 27 31 ENDBRANCH 23 25 ENDBRANCH 4 21 TORSDOF 6