REMARK Name = BDB008674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.309 -1.468 0.467 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.102 -1.968 -0.015 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.076 -3.164 -0.706 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.180 -3.483 -1.115 0.00 0.00 -0.206 NA ATOM 5 C LIG 1 -1.969 -2.506 -0.690 0.00 0.00 +0.162 A ATOM 6 N LIG 1 1.151 -3.930 -0.944 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.269 -3.396 -0.415 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.225 -1.585 0.042 0.00 0.00 -0.314 N ATOM 9 N LIG 1 2.396 -2.237 0.261 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.414 -2.452 -0.964 0.00 0.00 +0.106 A ATOM 11 N LIG 1 -4.013 -1.245 -0.839 0.00 0.00 -0.252 NA ATOM 12 C LIG 1 -5.333 -1.176 -1.122 0.00 0.00 +0.111 A ATOM 13 C LIG 1 -6.093 -2.260 -1.528 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -5.461 -3.490 -1.658 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.101 -3.590 -1.377 0.00 0.00 +0.031 A ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 1.413 -0.245 1.124 0.00 0.00 -0.324 N ATOM 17 H LIG 1 0.851 0.452 0.645 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 3.214 -0.358 2.772 0.00 0.00 +0.028 C ATOM 19 C LIG 1 2.767 0.241 1.435 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 2.739 1.778 1.559 0.00 0.00 +0.009 C ATOM 21 C LIG 1 2.499 2.573 0.241 0.00 0.00 +0.005 C ATOM 22 C LIG 1 4.025 2.724 0.114 0.00 0.00 +0.001 C ATOM 23 C LIG 1 4.111 2.508 1.636 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 3.513 -4.214 -0.636 0.00 0.00 +0.375 C ATOM 25 O LIG 1 4.636 -3.929 -0.257 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 3.230 -5.351 -1.335 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 2.268 -5.387 -1.545 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -1.754 -0.522 0.893 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 -1.594 0.872 0.323 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -1.697 1.151 -1.047 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -1.547 2.457 -1.524 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -1.314 3.519 -0.640 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -1.229 3.247 0.732 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -1.376 1.941 1.207 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -1.124 4.924 -1.156 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -1.759 5.154 -2.339 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -1.586 5.874 -0.296 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.188 5.220 -1.370 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9