REMARK Name = BDB016819 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.712 -0.969 0.713 0.00 0.00 -0.252 N ATOM 2 C LIG 1 -0.946 -0.080 -0.239 0.00 0.00 +0.161 C ATOM 3 C LIG 1 0.439 -0.434 0.127 0.00 0.00 +0.077 A ATOM 4 C LIG 1 0.496 -1.333 1.142 0.00 0.00 +0.150 A ATOM 5 N LIG 1 1.768 -1.660 1.456 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 2.517 -0.946 0.624 0.00 0.00 +0.138 A ATOM 7 N LIG 1 1.724 -0.199 -0.260 0.00 0.00 -0.323 N ATOM 8 C LIG 1 -0.829 -1.709 1.564 0.00 0.00 +0.272 C ATOM 9 O LIG 1 -1.086 -2.517 2.441 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 -5.821 -2.632 2.986 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -5.173 -1.913 1.831 0.00 0.00 -0.004 A ATOM 12 C LIG 1 -5.935 -1.351 0.760 0.00 0.00 +0.164 A ATOM 13 N LIG 1 -5.255 -0.692 -0.245 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -6.232 -0.254 -1.113 0.00 0.00 +0.135 A ATOM 15 N LIG 1 -7.413 -0.631 -0.665 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 -5.969 0.519 -2.345 0.00 0.00 +0.088 C ATOM 17 C LIG 1 -3.870 -0.557 -0.284 0.00 0.00 +0.118 A ATOM 18 C LIG 1 -3.106 -1.077 0.700 0.00 0.00 +0.055 A ATOM 19 N LIG 1 -7.226 -1.318 0.511 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 -3.825 -1.768 1.783 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -1.261 1.395 -0.041 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -1.168 2.004 1.225 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -1.465 3.359 1.390 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.857 4.121 0.294 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -2.218 5.790 0.495 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -1.957 3.540 -0.968 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -1.660 2.184 -1.135 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 3.944 -0.918 0.557 0.00 0.00 -0.006 C ATOM 29 C LIG 1 4.797 0.286 0.902 0.00 0.00 +0.054 C ATOM 30 C LIG 1 6.263 -0.082 1.185 0.00 0.00 +0.089 C ATOM 31 N LIG 1 6.829 -1.044 0.228 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 6.964 -0.486 -1.115 0.00 0.00 +0.105 C ATOM 33 C LIG 1 6.039 -2.282 0.232 0.00 0.00 +0.111 C ATOM 34 C LIG 1 4.550 -2.090 0.276 0.00 0.00 -0.005 C ENDBRANCH 6 28 BRANCH 7 35 ATOM 35 C LIG 1 2.197 0.582 -1.399 0.00 0.00 +0.083 C ATOM 36 C LIG 1 2.205 2.080 -1.104 0.00 0.00 +0.030 C ATOM 37 C LIG 1 1.453 0.267 -2.698 0.00 0.00 +0.030 C ENDBRANCH 7 35 TORSDOF 4