REMARK Name = BDB008147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.604 -0.911 -0.004 0.00 0.00 +0.190 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.884 -0.589 -0.105 0.00 0.00 -0.018 A ATOM 3 C LIG 1 -1.385 0.627 0.380 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -2.739 0.952 0.228 0.00 0.00 +0.026 A ATOM 5 C LIG 1 -3.617 0.092 -0.438 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -3.105 -1.133 -0.904 0.00 0.00 +0.026 A ATOM 7 C LIG 1 -1.759 -1.472 -0.740 0.00 0.00 +0.008 A BRANCH 5 8 ATOM 8 N LIG 1 -4.961 0.398 -0.733 0.00 0.00 -0.327 N ATOM 9 H LIG 1 -5.551 -0.422 -0.726 0.00 0.00 +0.169 HD BRANCH 8 10 ATOM 10 C LIG 1 -5.642 1.570 -0.689 0.00 0.00 +0.192 C ATOM 11 N LIG 1 -5.216 2.781 -0.635 0.00 0.00 -0.269 NA ATOM 12 H LIG 1 -4.197 2.776 -0.649 0.00 0.00 +0.190 HD BRANCH 10 13 ATOM 13 N LIG 1 -6.987 1.397 -0.782 0.00 0.00 -0.370 N ATOM 14 H LIG 1 -7.414 2.322 -0.837 0.00 0.00 +0.159 HD ATOM 15 H LIG 1 -7.252 0.873 -1.610 0.00 0.00 +0.159 HD ENDBRANCH 10 13 ENDBRANCH 8 10 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 16 C LIG 1 2.435 -0.274 -1.587 0.00 0.00 +0.234 C ATOM 17 N LIG 1 1.298 0.029 -0.882 0.00 0.00 -0.299 N ATOM 18 H LIG 1 1.113 1.008 -0.695 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 3.018 -1.356 -1.528 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C LIG 1 2.918 0.874 -2.530 0.00 0.00 +0.156 C ATOM 21 C LIG 1 1.724 1.365 -3.369 0.00 0.00 +0.038 C BRANCH 20 24 ATOM 22 C LIG 1 5.850 0.874 -1.897 0.00 0.00 +0.109 C ATOM 23 C LIG 1 5.279 0.232 -3.132 0.00 0.00 +0.211 C ATOM 24 N LIG 1 3.958 0.399 -3.441 0.00 0.00 -0.304 N ATOM 25 H LIG 1 3.673 -0.174 -4.221 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 5.994 -0.454 -3.871 0.00 0.00 -0.276 OA ENDBRANCH 20 24 ENDBRANCH 16 20 ENDBRANCH 1 17 BRANCH 1 27 ATOM 27 C LIG 1 1.144 -0.854 1.445 0.00 0.00 +0.238 C ATOM 28 N LIG 1 0.276 -1.322 2.421 0.00 0.00 -0.302 N ATOM 29 H LIG 1 -0.704 -1.498 2.194 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.292 -0.519 1.749 0.00 0.00 -0.273 OA BRANCH 28 31 ATOM 31 C LIG 1 0.610 -1.308 3.842 0.00 0.00 +0.156 C ATOM 32 C LIG 1 0.814 0.105 4.381 0.00 0.00 +0.038 C BRANCH 31 33 ATOM 33 C LIG 1 -0.562 -1.977 4.583 0.00 0.00 +0.231 C ATOM 34 O LIG 1 -1.678 -2.084 4.074 0.00 0.00 -0.274 OA ATOM 35 N LIG 1 -0.317 -2.419 5.849 0.00 0.00 -0.328 N ATOM 36 H LIG 1 0.612 -2.744 6.094 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -1.092 -2.926 6.271 0.00 0.00 +0.145 HD ENDBRANCH 31 33 ENDBRANCH 28 31 ENDBRANCH 1 27 TORSDOF 10