REMARK Name = BDB021022 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.113 0.524 -0.739 0.00 0.00 +0.114 A ATOM 2 N LIG 1 -1.732 -0.436 0.169 0.00 0.00 -0.328 N ATOM 3 C LIG 1 -2.538 -1.135 1.148 0.00 0.00 +0.142 C ATOM 4 C LIG 1 -1.661 -1.740 2.235 0.00 0.00 +0.129 C ATOM 5 N LIG 1 -0.546 -2.487 1.651 0.00 0.00 -0.294 N ATOM 6 C LIG 1 0.344 -1.741 0.763 0.00 0.00 +0.163 C ATOM 7 C LIG 1 -0.177 -3.686 2.248 0.00 0.00 +0.213 C ATOM 8 O LIG 1 -0.837 -4.210 3.146 0.00 0.00 -0.276 OA ATOM 9 C LIG 1 1.075 -4.355 1.738 0.00 0.00 +0.109 C ATOM 10 C LIG 1 -0.394 -0.715 -0.021 0.00 0.00 +0.064 A ATOM 11 C LIG 1 -0.012 0.123 -1.051 0.00 0.00 +0.094 A ATOM 12 N LIG 1 -1.082 0.862 -1.490 0.00 0.00 -0.232 NA ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 1.299 0.215 -1.667 0.00 0.00 +0.003 A ATOM 14 C LIG 1 2.469 0.262 -0.891 0.00 0.00 +0.022 A ATOM 15 C LIG 1 3.730 0.342 -1.523 0.00 0.00 +0.028 A ATOM 16 C LIG 1 5.094 0.396 -1.120 0.00 0.00 +0.103 A ATOM 17 N LIG 1 5.930 0.405 -2.166 0.00 0.00 -0.170 NA ATOM 18 N LIG 1 5.112 0.421 -3.232 0.00 0.00 -0.266 N ATOM 19 C LIG 1 5.677 0.466 -4.559 0.00 0.00 +0.173 C ATOM 20 C LIG 1 3.776 0.370 -2.916 0.00 0.00 +0.069 A ATOM 21 C LIG 1 2.625 0.349 -3.714 0.00 0.00 +0.028 A ATOM 22 C LIG 1 1.390 0.278 -3.061 0.00 0.00 +0.012 A BRANCH 16 23 ATOM 23 C LIG 1 5.593 0.404 0.251 0.00 0.00 +0.040 A ATOM 24 C LIG 1 6.812 -0.045 0.709 0.00 0.00 +0.118 A ATOM 25 N LIG 1 6.818 0.185 2.051 0.00 0.00 -0.274 N ATOM 26 C LIG 1 7.883 -0.112 2.978 0.00 0.00 +0.172 C ATOM 27 N LIG 1 5.684 0.755 2.504 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 4.952 0.913 1.395 0.00 0.00 +0.144 A ENDBRANCH 16 23 ENDBRANCH 11 13 BRANCH 1 34 ATOM 29 C LIG 1 -7.998 2.809 1.023 0.00 0.00 +0.109 C ATOM 30 C LIG 1 -7.576 2.072 -0.222 0.00 0.00 +0.212 C ATOM 31 N LIG 1 -6.276 1.582 -0.267 0.00 0.00 -0.302 N ATOM 32 C LIG 1 -5.297 1.706 0.809 0.00 0.00 +0.108 C ATOM 33 C LIG 1 -3.895 2.013 0.287 0.00 0.00 +0.030 C ATOM 34 C LIG 1 -3.482 1.129 -0.901 0.00 0.00 +0.058 C ATOM 35 C LIG 1 -4.551 0.110 -1.297 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -5.898 0.807 -1.447 0.00 0.00 +0.108 C ATOM 37 O LIG 1 -8.368 1.925 -1.154 0.00 0.00 -0.276 OA ENDBRANCH 1 34 TORSDOF 3