REMARK Name = BDB036388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.605 1.025 -1.201 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.378 0.694 -2.561 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -1.076 -0.338 -3.196 0.00 0.00 -0.010 A ATOM 4 C LIG 1 -0.671 -0.490 -4.565 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.301 0.405 -4.938 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -2.031 -1.066 -2.448 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.290 -0.766 -1.102 0.00 0.00 -0.039 A ATOM 8 S LIG 1 0.741 1.434 -3.656 0.00 0.00 -0.096 S ATOM 9 C LIG 1 -1.574 0.272 -0.502 0.00 0.00 +0.010 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 0.155 2.118 -0.476 0.00 0.00 +0.145 C BRANCH 10 17 ATOM 11 C LIG 1 6.623 1.405 1.039 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.726 0.577 0.466 0.00 0.00 -0.176 NA ATOM 13 C LIG 1 4.530 1.107 0.123 0.00 0.00 +0.245 A ATOM 14 O LIG 1 3.698 0.228 -0.502 0.00 0.00 -0.470 OA ATOM 15 C LIG 1 2.752 -0.346 0.417 0.00 0.00 +0.191 C ATOM 16 C LIG 1 1.706 0.696 0.879 0.00 0.00 +0.154 C ATOM 17 N LIG 1 1.555 1.735 -0.172 0.00 0.00 -0.169 NA ATOM 18 S LIG 1 2.598 3.067 -0.012 0.00 0.00 +0.066 S ATOM 19 O LIG 1 2.168 3.760 1.188 0.00 0.00 -0.153 OA ATOM 20 O LIG 1 2.665 3.760 -1.278 0.00 0.00 -0.153 OA ATOM 21 C LIG 1 4.195 2.429 0.335 0.00 0.00 +0.167 A ATOM 22 C LIG 1 5.132 3.263 0.949 0.00 0.00 +0.039 A ATOM 23 C LIG 1 6.373 2.743 1.302 0.00 0.00 +0.069 A BRANCH 15 24 ATOM 24 C LIG 1 2.068 -1.516 -0.309 0.00 0.00 +0.042 C ATOM 25 C LIG 1 3.046 -2.631 -0.657 0.00 0.00 +0.007 C ENDBRANCH 15 24 BRANCH 11 26 ATOM 26 O LIG 1 7.859 0.930 1.427 0.00 0.00 -0.477 OA BRANCH 26 28 ATOM 27 C LIG 1 7.640 -1.394 2.098 0.00 0.00 +0.048 C ATOM 28 C LIG 1 8.133 -0.419 1.042 0.00 0.00 +0.227 C ENDBRANCH 26 28 ENDBRANCH 11 26 ENDBRANCH 10 17 ENDBRANCH 1 10 BRANCH 7 29 ATOM 29 C LIG 1 -3.305 -1.608 -0.325 0.00 0.00 +0.060 C BRANCH 29 30 ATOM 30 C LIG 1 -4.351 -0.742 0.408 0.00 0.00 -0.034 A ATOM 31 C LIG 1 -5.472 -0.209 -0.298 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.695 -0.469 -1.763 0.00 0.00 +0.046 C ATOM 33 C LIG 1 -6.388 0.588 0.428 0.00 0.00 +0.116 A ATOM 34 N LIG 1 -7.537 1.214 0.013 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 -8.064 1.849 1.050 0.00 0.00 -0.065 NA ATOM 36 N LIG 1 -7.262 1.629 2.106 0.00 0.00 -0.247 N ATOM 37 C LIG 1 -7.598 2.213 3.376 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -6.190 0.843 1.779 0.00 0.00 +0.089 A ATOM 39 C LIG 1 -5.103 0.345 2.493 0.00 0.00 +0.030 A ATOM 40 C LIG 1 -4.194 -0.445 1.781 0.00 0.00 +0.007 A ENDBRANCH 29 30 BRANCH 29 41 ATOM 41 C LIG 1 -2.571 -2.618 0.583 0.00 0.00 +0.133 C BRANCH 41 42 ATOM 42 C LIG 1 -1.872 -3.679 -0.222 0.00 0.00 +0.306 C ATOM 43 O LIG 1 -2.278 -4.215 -1.239 0.00 0.00 -0.251 OA BRANCH 42 44 ATOM 44 O LIG 1 -0.701 -4.052 0.328 0.00 0.00 -0.481 OA ATOM 45 H LIG 1 -0.360 -4.742 -0.281 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 29 41 ENDBRANCH 7 29 TORSDOF 10