REMARK Name = BDB048733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.816 -1.744 -1.425 0.00 0.00 +0.162 A ATOM 2 C LIG 1 0.593 -1.541 -0.771 0.00 0.00 +0.162 A ATOM 3 C LIG 1 0.525 -0.544 0.199 0.00 0.00 +0.050 A ATOM 4 C LIG 1 1.653 0.233 0.501 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.885 0.037 -0.152 0.00 0.00 -0.022 A ATOM 6 C LIG 1 2.936 -0.950 -1.143 0.00 0.00 +0.055 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 4.057 0.946 0.183 0.00 0.00 +0.124 C ATOM 8 C LIG 1 5.412 0.713 -0.489 0.00 0.00 +0.164 C ATOM 9 C LIG 1 6.261 1.865 0.000 0.00 0.00 +0.026 C ATOM 10 C LIG 1 7.252 2.476 -0.958 0.00 0.00 +0.059 C ATOM 11 N LIG 1 6.182 2.349 1.201 0.00 0.00 -0.172 NA ATOM 12 C LIG 1 5.317 1.792 2.105 0.00 0.00 +0.324 C ATOM 13 O LIG 1 5.449 1.903 3.317 0.00 0.00 -0.251 OA ATOM 14 N LIG 1 4.269 1.077 1.604 0.00 0.00 -0.290 N ATOM 15 H LIG 1 3.697 0.597 2.287 0.00 0.00 +0.151 HD BRANCH 8 16 ATOM 16 C LIG 1 6.053 -0.614 -0.169 0.00 0.00 +0.315 C ATOM 17 O LIG 1 5.620 -1.508 0.537 0.00 0.00 -0.250 OA BRANCH 16 18 ATOM 18 O LIG 1 7.231 -0.778 -0.807 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 7.545 -1.661 -0.510 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 8 16 ENDBRANCH 5 7 BRANCH 1 21 ATOM 20 C LIG 1 2.043 -3.991 -1.873 0.00 0.00 +0.277 C ATOM 21 O LIG 1 1.967 -2.675 -2.425 0.00 0.00 -0.491 OA ENDBRANCH 1 21 BRANCH 2 22 ATOM 22 O LIG 1 -0.448 -2.334 -1.171 0.00 0.00 -0.485 OA BRANCH 22 23 ATOM 23 C LIG 1 -1.711 -2.204 -0.522 0.00 0.00 +0.270 C BRANCH 23 24 ATOM 24 C LIG 1 -2.567 -1.127 -1.185 0.00 0.00 +0.270 C BRANCH 24 25 ATOM 25 O LIG 1 -3.802 -1.046 -0.479 0.00 0.00 -0.486 OA BRANCH 25 26 ATOM 26 C LIG 1 -4.566 0.079 -0.702 0.00 0.00 +0.146 A ATOM 27 C LIG 1 -5.397 0.484 0.358 0.00 0.00 +0.113 A ATOM 28 C LIG 1 -6.220 1.613 0.152 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -7.052 2.032 1.198 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -7.053 1.345 2.405 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -6.215 0.249 2.539 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -6.181 -0.523 3.824 0.00 0.00 +0.065 C ATOM 33 C LIG 1 -6.205 2.299 -1.073 0.00 0.00 +0.010 A ATOM 34 C LIG 1 -5.380 1.873 -2.109 0.00 0.00 +0.004 A ATOM 35 N LIG 1 -5.402 -0.174 1.542 0.00 0.00 -0.248 NA ATOM 36 C LIG 1 -4.564 0.760 -1.927 0.00 0.00 +0.048 A ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9