REMARK Name = BDB007196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.989 -1.387 0.115 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -4.382 -1.235 1.451 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -3.456 -0.718 2.361 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -2.150 -0.395 1.952 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -1.162 0.189 2.909 0.00 0.00 +0.132 C ATOM 6 C LIG 1 0.285 -0.169 2.609 0.00 0.00 +0.225 C ATOM 7 N LIG 1 0.673 -0.252 1.260 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -0.357 -0.176 0.187 0.00 0.00 +0.142 C ATOM 9 O LIG 1 1.031 -0.322 3.580 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.758 -0.572 0.626 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -2.687 -1.088 -0.288 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.357 1.172 -0.544 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -0.562 1.208 -1.936 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.586 2.422 -2.628 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.405 3.616 -1.936 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -0.433 5.111 -2.785 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.202 3.605 -0.559 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.179 2.391 0.134 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 2.077 -0.331 0.861 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.457 -0.619 -0.467 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.802 -0.673 -0.865 0.00 0.00 +0.015 A ATOM 22 C LIG 1 4.810 -0.418 0.057 0.00 0.00 +0.037 A ATOM 23 C LIG 1 4.478 -0.149 1.379 0.00 0.00 +0.015 A ATOM 24 C LIG 1 3.129 -0.095 1.766 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 6.221 -0.503 -0.375 0.00 0.00 +0.246 C ATOM 26 N LIG 1 7.037 0.623 -0.255 0.00 0.00 -0.301 N ATOM 27 C LIG 1 6.585 1.928 0.210 0.00 0.00 +0.132 C ATOM 28 O LIG 1 6.605 -1.580 -0.824 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 8.475 0.449 -0.447 0.00 0.00 +0.104 C ATOM 30 C LIG 1 9.184 0.119 0.857 0.00 0.00 +0.024 C ENDBRANCH 26 29 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 31 ATOM 31 O LIG 1 -5.664 -1.602 1.760 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -6.011 -1.661 3.137 0.00 0.00 +0.277 C ENDBRANCH 2 31 BRANCH 1 33 ATOM 33 O LIG 1 -4.822 -1.903 -0.846 0.00 0.00 -0.485 OA BRANCH 33 34 ATOM 34 C LIG 1 -5.866 -0.985 -1.218 0.00 0.00 +0.170 C ATOM 35 C LIG 1 -7.143 -1.800 -1.404 0.00 0.00 +0.052 C BRANCH 34 37 ATOM 36 C LIG 1 -5.115 -1.130 -3.679 0.00 0.00 +0.007 C ATOM 37 C LIG 1 -5.463 -0.232 -2.499 0.00 0.00 +0.041 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8