REMARK Name = BDB056206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.044 0.505 0.576 0.00 0.00 +0.090 C ATOM 2 C LIG 1 0.288 -0.229 0.399 0.00 0.00 +0.034 C ATOM 3 C LIG 1 1.436 0.602 1.022 0.00 0.00 +0.072 C ATOM 4 C LIG 1 1.151 2.132 0.905 0.00 0.00 +0.099 C ATOM 5 N LIG 1 0.307 2.500 -0.236 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 0.779 2.215 -1.096 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.007 1.839 -0.188 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.734 0.089 0.528 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 3.869 0.050 1.476 0.00 0.00 +0.033 C ATOM 10 C LIG 1 4.441 1.437 1.829 0.00 0.00 +0.029 C ATOM 11 C LIG 1 3.500 -0.665 2.799 0.00 0.00 +0.029 C ATOM 12 C LIG 1 4.968 -0.831 0.814 0.00 0.00 +0.135 C ATOM 13 N LIG 1 5.389 -0.387 -0.508 0.00 0.00 -0.267 N ATOM 14 C LIG 1 4.428 0.115 -1.389 0.00 0.00 +0.234 C ATOM 15 O LIG 1 4.613 0.252 -2.603 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 3.108 0.626 -0.796 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 6.743 -0.622 -0.949 0.00 0.00 +0.055 A ATOM 18 C LIG 1 7.549 -1.720 -0.577 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 6.981 -3.096 0.311 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 8.884 -1.810 -1.009 0.00 0.00 +0.022 A ATOM 21 C LIG 1 9.441 -0.823 -1.817 0.00 0.00 +0.002 A ATOM 22 C LIG 1 8.664 0.257 -2.207 0.00 0.00 +0.002 A ATOM 23 C LIG 1 7.336 0.354 -1.778 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 -3.451 0.240 0.372 0.00 0.00 -0.307 N ATOM 25 H LIG 1 -3.478 0.918 1.124 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -2.225 -0.335 0.106 0.00 0.00 +0.218 C ATOM 27 O LIG 1 -2.098 -1.418 -0.454 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.701 -0.496 0.140 0.00 0.00 +0.122 C BRANCH 28 29 ATOM 29 C LIG 1 -5.815 0.172 0.941 0.00 0.00 +0.061 A ATOM 30 N LIG 1 -6.208 -0.457 2.078 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -7.171 0.128 2.823 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -7.760 1.339 2.505 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.332 1.991 1.357 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.344 1.409 0.567 0.00 0.00 +0.025 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.008 -0.635 -1.373 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 36 C LIG 1 -7.316 -1.758 -1.202 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.892 -1.846 -1.749 0.00 0.00 -0.015 C ATOM 38 C LIG 1 -5.944 -1.987 -3.274 0.00 0.00 +0.007 C ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 7