REMARK Name = BDB036291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.574 -0.475 -2.564 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.729 -1.856 -2.529 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.917 -2.690 -2.903 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -1.286 -4.082 -3.036 0.00 0.00 +0.009 C ATOM 5 C LIG 1 -0.116 -4.118 -2.048 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.294 -2.679 -2.039 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.486 -2.152 -1.567 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.688 -0.761 -1.605 0.00 0.00 -0.039 A ATOM 9 C LIG 1 0.656 0.053 -2.120 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.674 0.475 -2.975 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -4.173 0.365 -0.139 0.00 0.00 +0.189 C ATOM 12 O LIG 1 -4.572 1.658 0.344 0.00 0.00 -0.485 OA ATOM 13 C LIG 1 -3.591 2.453 0.857 0.00 0.00 +0.149 A ATOM 14 C LIG 1 -2.497 2.952 0.156 0.00 0.00 +0.147 A ATOM 15 C LIG 1 -1.550 3.753 0.818 0.00 0.00 +0.034 A ATOM 16 C LIG 1 -1.714 4.077 2.166 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -2.836 3.618 2.847 0.00 0.00 +0.045 A ATOM 18 CL LIG 1 -3.067 4.037 4.499 0.00 0.00 -0.083 Cl ATOM 19 S LIG 1 -2.283 2.688 -1.580 0.00 0.00 +0.065 S ATOM 20 O LIG 1 -3.395 3.297 -2.275 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -0.920 3.076 -1.889 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -2.378 1.003 -1.773 0.00 0.00 -0.169 NA ATOM 23 C LIG 1 -3.775 2.822 2.196 0.00 0.00 +0.067 A ATOM 24 C LIG 1 -3.736 0.424 -1.605 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -3.825 -0.839 2.085 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -3.205 -0.440 0.754 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 3.003 -0.197 -1.068 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.173 -0.356 0.457 0.00 0.00 -0.034 A ATOM 29 C LIG 1 2.253 0.140 1.426 0.00 0.00 -0.017 A ATOM 30 C LIG 1 0.972 0.838 1.074 0.00 0.00 +0.046 C ATOM 31 C LIG 1 2.565 -0.084 2.789 0.00 0.00 +0.116 A ATOM 32 N LIG 1 1.866 0.263 3.920 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 2.553 -0.146 4.977 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 3.664 -0.751 4.524 0.00 0.00 -0.247 N ATOM 35 C LIG 1 4.606 -1.290 5.467 0.00 0.00 +0.175 C ATOM 36 C LIG 1 3.730 -0.743 3.157 0.00 0.00 +0.089 A ATOM 37 C LIG 1 4.655 -1.223 2.235 0.00 0.00 +0.030 A ATOM 38 C LIG 1 4.351 -1.014 0.887 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 3.393 1.229 -1.492 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 3.665 1.315 -2.965 0.00 0.00 +0.306 C ATOM 41 O LIG 1 3.033 1.961 -3.782 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 4.750 0.611 -3.344 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 4.798 0.767 -4.312 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8