REMARK Name = BDB024763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.456 -2.711 -0.283 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -4.894 -1.710 0.529 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -5.738 -1.001 1.522 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -6.129 -1.929 2.687 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -5.103 0.257 2.136 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -4.326 1.028 1.095 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -3.250 0.121 0.575 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.945 0.590 0.316 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.421 1.848 0.494 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.162 1.779 0.113 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.146 0.508 -0.321 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.984 -0.271 -0.196 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.251 -1.612 -0.472 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -2.552 -2.067 -0.218 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -3.557 -1.230 0.292 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -4.881 -3.338 -1.167 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -7.412 -3.896 -0.839 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -6.784 -2.908 -0.021 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.427 0.048 -0.829 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.308 -0.524 0.286 0.00 0.00 +0.103 C BRANCH 20 21 ATOM 21 N LIG 1 3.590 -0.984 -0.250 0.00 0.00 -0.310 NA ATOM 22 H LIG 1 3.446 -1.748 -0.911 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 4.471 -1.454 0.820 0.00 0.00 +0.119 C BRANCH 23 24 ATOM 24 C LIG 1 5.727 -1.953 0.200 0.00 0.00 +0.004 A ATOM 25 C LIG 1 6.654 -1.257 -0.552 0.00 0.00 +0.112 A ATOM 26 N LIG 1 7.627 -2.149 -0.889 0.00 0.00 -0.274 N ATOM 27 C LIG 1 8.806 -1.892 -1.680 0.00 0.00 +0.172 C ATOM 28 N LIG 1 7.412 -3.384 -0.400 0.00 0.00 -0.180 NA ATOM 29 C LIG 1 6.259 -3.262 0.261 0.00 0.00 +0.139 A ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 30 ATOM 30 C LIG 1 0.788 2.930 0.134 0.00 0.00 +0.097 C BRANCH 30 31 ATOM 31 C LIG 1 0.571 3.822 -1.080 0.00 0.00 +0.151 C BRANCH 31 32 ATOM 32 N LIG 1 1.503 4.933 -1.096 0.00 0.00 -0.271 N ATOM 33 N LIG 1 2.789 4.717 -1.433 0.00 0.00 -0.180 NA ATOM 34 C LIG 1 3.344 5.929 -1.345 0.00 0.00 +0.134 A ATOM 35 C LIG 1 2.421 6.914 -0.950 0.00 0.00 +0.041 A ATOM 36 C LIG 1 1.234 6.237 -0.796 0.00 0.00 +0.108 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 9