REMARK Name = BDB020983 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.157 5.013 -0.415 0.00 0.00 +0.109 C ATOM 2 C LIG 1 -3.353 4.095 -0.375 0.00 0.00 +0.213 C ATOM 3 N LIG 1 -3.113 2.733 -0.509 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -1.837 2.201 -0.983 0.00 0.00 +0.163 C ATOM 5 C LIG 1 -1.696 0.757 -0.665 0.00 0.00 +0.064 A ATOM 6 N LIG 1 -2.717 -0.004 -0.136 0.00 0.00 -0.328 N ATOM 7 C LIG 1 -2.223 -1.255 0.136 0.00 0.00 +0.116 A ATOM 8 N LIG 1 -0.965 -1.343 -0.248 0.00 0.00 -0.232 NA ATOM 9 C LIG 1 -4.034 0.532 0.138 0.00 0.00 +0.142 C ATOM 10 C LIG 1 -0.630 -0.115 -0.760 0.00 0.00 +0.094 A ATOM 11 C LIG 1 -4.265 1.837 -0.615 0.00 0.00 +0.129 C ATOM 12 O LIG 1 -4.482 4.559 -0.215 0.00 0.00 -0.276 OA ENDROOT BRANCH 10 13 ATOM 13 C LIG 1 0.704 0.184 -1.248 0.00 0.00 +0.003 A ATOM 14 C LIG 1 1.809 -0.262 -0.502 0.00 0.00 +0.022 A ATOM 15 C LIG 1 3.119 0.008 -0.951 0.00 0.00 +0.028 A ATOM 16 C LIG 1 4.447 -0.250 -0.509 0.00 0.00 +0.103 A ATOM 17 N LIG 1 5.363 0.300 -1.317 0.00 0.00 -0.170 NA ATOM 18 N LIG 1 4.634 0.858 -2.298 0.00 0.00 -0.266 N ATOM 19 C LIG 1 5.307 1.528 -3.385 0.00 0.00 +0.173 C ATOM 20 C LIG 1 3.278 0.731 -2.133 0.00 0.00 +0.069 A ATOM 21 C LIG 1 2.195 1.172 -2.906 0.00 0.00 +0.028 A ATOM 22 C LIG 1 0.906 0.878 -2.444 0.00 0.00 +0.012 A BRANCH 16 23 ATOM 23 C LIG 1 4.844 -0.995 0.682 0.00 0.00 +0.040 A ATOM 24 C LIG 1 6.037 -0.912 1.367 0.00 0.00 +0.118 A ATOM 25 N LIG 1 5.949 -1.806 2.390 0.00 0.00 -0.274 N ATOM 26 C LIG 1 6.952 -2.085 3.388 0.00 0.00 +0.172 C ATOM 27 N LIG 1 4.782 -2.478 2.418 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 4.117 -1.990 1.363 0.00 0.00 +0.144 A ENDBRANCH 16 23 ENDBRANCH 10 13 BRANCH 7 29 ATOM 29 C LIG 1 -2.916 -2.478 0.832 0.00 0.00 +0.083 C ATOM 30 C LIG 1 -4.282 -2.925 0.290 0.00 0.00 +0.096 C ATOM 31 N LIG 1 -4.936 -2.245 1.432 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 -5.871 -3.148 2.099 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -3.646 -2.206 2.157 0.00 0.00 +0.096 C ENDBRANCH 7 29 TORSDOF 3