REMARK Name = BDB032092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.381 -0.286 -1.453 0.00 0.00 +0.012 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.006 0.351 -1.410 0.00 0.00 +0.077 C BRANCH 2 8 ATOM 3 N LIG 1 -1.813 -0.018 0.929 0.00 0.00 -0.280 N ATOM 4 C LIG 1 -2.746 -0.824 1.539 0.00 0.00 +0.347 A ATOM 5 O LIG 1 -3.073 -0.814 2.716 0.00 0.00 -0.245 OA ATOM 6 N LIG 1 -3.251 -1.631 0.522 0.00 0.00 -0.209 N ATOM 7 N LIG 1 -2.692 -1.284 -0.686 0.00 0.00 -0.153 NA ATOM 8 C LIG 1 -1.863 -0.327 -0.381 0.00 0.00 +0.134 A BRANCH 3 10 ATOM 9 C LIG 1 -1.930 2.327 1.659 0.00 0.00 +0.027 C ATOM 10 C LIG 1 -1.106 1.049 1.613 0.00 0.00 +0.125 C ENDBRANCH 3 10 BRANCH 6 11 ATOM 11 C LIG 1 -4.369 -2.534 0.646 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C LIG 1 -5.689 -1.839 0.418 0.00 0.00 -0.026 A ATOM 13 C LIG 1 -6.397 -1.282 1.486 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -7.611 -0.622 1.267 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -8.154 -0.486 -0.025 0.00 0.00 -0.042 A ATOM 16 C LIG 1 -7.423 -1.037 -1.089 0.00 0.00 +0.004 A ATOM 17 C LIG 1 -6.208 -1.699 -0.873 0.00 0.00 +0.006 A BRANCH 15 18 ATOM 18 C LIG 1 -9.491 0.249 -0.227 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -10.603 -0.471 0.566 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -9.951 0.316 -1.701 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -9.366 1.703 0.278 0.00 0.00 +0.015 C ENDBRANCH 15 18 ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 2 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 C LIG 1 1.251 0.359 -2.532 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 2.647 -0.212 -2.532 0.00 0.00 -0.047 A ATOM 24 C LIG 1 3.669 0.412 -1.799 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.972 -0.113 -1.762 0.00 0.00 -0.018 A ATOM 26 C LIG 1 5.229 -1.291 -2.481 0.00 0.00 +0.008 A ATOM 27 C LIG 1 4.220 -1.923 -3.210 0.00 0.00 +0.001 A ATOM 28 C LIG 1 2.934 -1.387 -3.234 0.00 0.00 +0.003 A BRANCH 25 29 ATOM 29 C LIG 1 6.034 0.552 -0.990 0.00 0.00 -0.018 A ATOM 30 C LIG 1 6.770 -0.146 -0.017 0.00 0.00 +0.013 A ATOM 31 C LIG 1 7.799 0.450 0.748 0.00 0.00 -0.027 A ATOM 32 C LIG 1 8.060 1.822 0.530 0.00 0.00 -0.046 A ATOM 33 C LIG 1 9.125 2.560 1.297 0.00 0.00 +0.044 C ATOM 34 C LIG 1 7.342 2.525 -0.452 0.00 0.00 +0.004 A ATOM 35 C LIG 1 6.343 1.899 -1.198 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 8.545 -0.399 1.785 0.00 0.00 +0.093 C ATOM 37 C LIG 1 10.058 -0.553 1.647 0.00 0.00 +0.024 C ATOM 38 C LIG 1 9.179 -1.710 1.308 0.00 0.00 +0.024 C BRANCH 36 39 ATOM 39 C LIG 1 7.970 -0.386 3.167 0.00 0.00 +0.315 C ATOM 40 O LIG 1 8.306 0.386 4.050 0.00 0.00 -0.250 OA BRANCH 39 41 ATOM 41 O LIG 1 7.028 -1.331 3.369 0.00 0.00 -0.480 OA ATOM 42 H LIG 1 6.751 -1.183 4.296 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 36 39 ENDBRANCH 31 36 ENDBRANCH 25 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12