REMARK Name = BDB009832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.478 2.927 0.312 0.00 0.00 +0.021 C ATOM 2 C LIG 1 -2.236 1.637 -0.504 0.00 0.00 +0.055 C ATOM 3 C LIG 1 -0.746 1.568 -0.896 0.00 0.00 +0.223 C ATOM 4 O LIG 1 -0.182 2.576 -1.327 0.00 0.00 -0.275 OA ATOM 5 N LIG 1 -0.078 0.352 -0.812 0.00 0.00 -0.288 N ATOM 6 C LIG 1 -0.457 -0.667 0.192 0.00 0.00 +0.114 C ATOM 7 C LIG 1 -1.648 -0.298 1.113 0.00 0.00 +0.045 C ATOM 8 C LIG 1 -2.732 0.424 0.313 0.00 0.00 +0.026 C ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 -0.647 -2.054 -0.425 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.100 -3.176 0.224 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.261 -4.458 -0.307 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.977 -4.633 -1.488 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -1.175 -6.210 -2.143 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -1.537 -3.537 -2.137 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -1.377 -2.255 -1.605 0.00 0.00 +0.007 A ENDBRANCH 6 9 BRANCH 7 16 ATOM 16 C LIG 1 -1.295 0.418 2.415 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.118 0.209 3.538 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -1.839 0.831 4.757 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -2.861 0.551 6.112 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -0.742 1.676 4.882 0.00 0.00 +0.020 A ATOM 21 C LIG 1 0.078 1.901 3.779 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -0.197 1.278 2.558 0.00 0.00 +0.004 A ENDBRANCH 7 16 BRANCH 5 23 ATOM 23 C LIG 1 1.302 0.219 -1.376 0.00 0.00 +0.101 C BRANCH 23 24 ATOM 24 C LIG 1 1.349 0.015 -2.880 0.00 0.00 +0.011 C ATOM 25 C LIG 1 1.146 1.138 -3.872 0.00 0.00 +0.006 C ATOM 26 C LIG 1 0.150 0.018 -3.800 0.00 0.00 +0.006 C ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 2.280 1.301 -0.898 0.00 0.00 +0.194 C BRANCH 27 28 ATOM 28 S LIG 1 3.918 0.667 -0.602 0.00 0.00 -0.001 S ATOM 29 O LIG 1 4.737 1.744 -0.080 0.00 0.00 -0.169 OA ATOM 30 O LIG 1 4.347 -0.098 -1.756 0.00 0.00 -0.169 OA BRANCH 28 31 ATOM 31 C LIG 1 3.698 -0.479 0.748 0.00 0.00 +0.088 A ATOM 32 C LIG 1 3.397 0.017 2.020 0.00 0.00 +0.028 A ATOM 33 C LIG 1 3.178 -0.876 3.070 0.00 0.00 +0.022 A ATOM 34 C LIG 1 3.280 -2.249 2.846 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 2.987 -3.348 4.136 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 3.611 -2.741 1.582 0.00 0.00 +0.022 A ATOM 37 C LIG 1 3.825 -1.854 0.525 0.00 0.00 +0.028 A ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 5 23 BRANCH 2 38 ATOM 38 C LIG 1 -3.080 1.688 -1.804 0.00 0.00 +0.136 C BRANCH 38 39 ATOM 39 C LIG 1 -2.832 2.886 -2.685 0.00 0.00 +0.306 C ATOM 40 O LIG 1 -3.223 4.023 -2.484 0.00 0.00 -0.251 OA BRANCH 39 41 ATOM 41 O LIG 1 -2.127 2.582 -3.788 0.00 0.00 -0.481 OA ATOM 42 H LIG 1 -1.977 3.448 -4.222 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 10