REMARK Name = BDB061550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.954 0.542 -0.899 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.440 1.756 -1.323 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.869 2.014 -0.949 0.00 0.00 +0.126 A ATOM 4 N LIG 1 1.627 1.132 -0.256 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.056 -0.024 0.087 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.207 -0.352 -0.207 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.755 0.425 -1.086 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.938 -0.843 -1.660 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -3.846 -1.673 -1.953 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.555 -1.198 -1.710 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.334 0.079 -1.156 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.454 0.868 -0.828 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -5.739 2.495 -0.418 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.893 1.137 -0.807 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.217 -1.312 -1.867 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.655 -0.957 -3.178 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.137 -2.900 -2.491 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.093 -3.864 -2.508 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.195 2.670 -2.118 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -1.817 3.407 -2.765 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.727 3.525 -1.367 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 1.033 4.563 -0.135 0.00 0.00 +0.141 A ATOM 23 S LIG 1 1.705 6.099 0.235 0.00 0.00 -0.069 S ATOM 24 C LIG 1 0.472 6.346 1.399 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -0.365 5.251 1.425 0.00 0.00 +0.120 A ATOM 26 N LIG 1 -0.045 4.233 0.546 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 1.990 -1.224 0.993 0.00 0.00 -0.078 S BRANCH 27 28 ATOM 28 C LIG 1 3.590 -0.365 1.097 0.00 0.00 +0.151 C BRANCH 28 29 ATOM 29 C LIG 1 4.613 -1.192 1.804 0.00 0.00 +0.118 A ATOM 30 N LIG 1 4.392 -1.759 3.038 0.00 0.00 -0.341 N ATOM 31 H LIG 1 3.527 -1.713 3.556 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 5.527 -2.427 3.419 0.00 0.00 +0.066 A ATOM 33 C LIG 1 6.412 -2.220 2.368 0.00 0.00 +0.089 A ATOM 34 C LIG 1 7.697 -2.778 2.435 0.00 0.00 +0.030 A ATOM 35 C LIG 1 8.044 -3.531 3.564 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.130 -3.724 4.604 0.00 0.00 +0.002 A ATOM 37 C LIG 1 5.844 -3.174 4.555 0.00 0.00 +0.028 A ATOM 38 N LIG 1 5.837 -1.453 1.385 0.00 0.00 -0.232 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10