REMARK Name = BDB021089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.179 -0.957 -0.125 0.00 0.00 -0.283 N ATOM 2 C LIG 1 -0.912 -0.298 -0.098 0.00 0.00 +0.038 A ATOM 3 C LIG 1 0.296 -1.013 0.052 0.00 0.00 -0.025 A ATOM 4 C LIG 1 1.532 -0.335 0.094 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.597 1.061 0.024 0.00 0.00 -0.016 A ATOM 6 C LIG 1 0.405 1.774 -0.094 0.00 0.00 +0.010 A ATOM 7 C LIG 1 0.312 -2.516 0.134 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.060 -3.065 0.478 0.00 0.00 +0.024 C ATOM 9 C LIG 1 -0.825 1.105 -0.145 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -2.093 -2.398 -0.413 0.00 0.00 +0.113 C ENDROOT BRANCH 1 20 ATOM 11 C LIG 1 -8.099 -1.218 3.522 0.00 0.00 +0.109 C ATOM 12 C LIG 1 -6.661 -1.401 3.110 0.00 0.00 +0.213 C ATOM 13 N LIG 1 -6.302 -0.964 1.839 0.00 0.00 -0.294 N ATOM 14 C LIG 1 -4.922 -1.237 1.434 0.00 0.00 +0.164 C ATOM 15 C LIG 1 -4.555 -0.503 0.198 0.00 0.00 +0.078 A ATOM 16 N LIG 1 -5.438 0.259 -0.532 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -4.754 0.831 -1.572 0.00 0.00 +0.115 A ATOM 18 N LIG 1 -3.495 0.443 -1.556 0.00 0.00 -0.217 NA ATOM 19 C LIG 1 -6.822 0.413 -0.149 0.00 0.00 +0.142 C ATOM 20 C LIG 1 -3.358 -0.370 -0.467 0.00 0.00 +0.149 A ATOM 21 C LIG 1 -7.266 -0.726 0.763 0.00 0.00 +0.129 C ATOM 22 O LIG 1 -5.855 -1.911 3.889 0.00 0.00 -0.276 OA BRANCH 17 23 ATOM 23 C LIG 1 -5.228 1.824 -2.678 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -6.452 2.685 -2.562 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -6.443 1.516 -3.509 0.00 0.00 +0.012 C ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 5 26 ATOM 26 C LIG 1 2.873 1.763 0.065 0.00 0.00 -0.000 A ATOM 27 C LIG 1 3.966 1.344 0.801 0.00 0.00 +0.094 A ATOM 28 N LIG 1 4.987 2.238 0.607 0.00 0.00 -0.353 N ATOM 29 C LIG 1 4.562 3.245 -0.216 0.00 0.00 +0.086 A ATOM 30 C LIG 1 3.258 2.977 -0.571 0.00 0.00 +0.027 A BRANCH 28 31 ATOM 31 C LIG 1 6.306 2.148 1.207 0.00 0.00 +0.121 C BRANCH 31 32 ATOM 32 C LIG 1 7.400 1.727 0.221 0.00 0.00 +0.025 C BRANCH 32 33 ATOM 33 C LIG 1 7.220 0.329 -0.402 0.00 0.00 -0.005 C ATOM 34 C LIG 1 7.243 -0.796 0.643 0.00 0.00 +0.032 C ATOM 35 C LIG 1 7.214 -2.164 -0.030 0.00 0.00 +0.160 C ATOM 36 O LIG 1 8.297 -2.299 -0.948 0.00 0.00 -0.380 OA ATOM 37 C LIG 1 8.223 -1.342 -2.003 0.00 0.00 +0.160 C ATOM 38 C LIG 1 8.317 0.074 -1.449 0.00 0.00 +0.032 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 5 26 TORSDOF 6