REMARK Name = BDB032116 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.670 -0.564 -0.332 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -0.071 0.455 0.276 0.00 0.00 +0.146 A ATOM 3 F LIG 1 0.573 1.478 0.863 0.00 0.00 -0.203 F ATOM 4 C LIG 1 -1.464 0.445 0.291 0.00 0.00 +0.063 A ATOM 5 C LIG 1 -2.157 -0.604 -0.313 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.429 -1.628 -0.924 0.00 0.00 +0.025 A ATOM 7 C LIG 1 -0.025 -1.609 -0.934 0.00 0.00 +0.028 A ENDROOT BRANCH 1 9 ATOM 8 C LIG 1 3.016 -1.321 -0.800 0.00 0.00 +0.224 C ATOM 9 N LIG 1 2.076 -0.451 -0.287 0.00 0.00 -0.283 N ATOM 10 H LIG 1 2.417 0.374 0.199 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.762 -2.369 -1.397 0.00 0.00 -0.275 OA BRANCH 8 14 ATOM 12 C LIG 1 6.260 -0.377 -0.318 0.00 0.00 +0.038 C ATOM 13 C LIG 1 5.453 -1.427 0.473 0.00 0.00 +0.042 C ATOM 14 C LIG 1 4.428 -0.881 -0.579 0.00 0.00 +0.053 C ATOM 15 C LIG 1 5.624 -0.977 -1.591 0.00 0.00 +0.042 C ATOM 16 C LIG 1 5.013 0.530 -0.232 0.00 0.00 +0.042 C BRANCH 12 18 ATOM 17 C LIG 1 8.073 0.635 0.974 0.00 0.00 +0.237 C ATOM 18 N LIG 1 7.622 -0.016 -0.147 0.00 0.00 -0.306 N ATOM 19 H LIG 1 8.320 -0.339 -0.804 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 7.363 0.956 1.920 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 10.324 1.094 -0.040 0.00 0.00 +0.013 C ATOM 22 C LIG 1 9.534 0.895 1.024 0.00 0.00 +0.059 C ENDBRANCH 17 22 ENDBRANCH 12 18 ENDBRANCH 8 14 ENDBRANCH 1 9 BRANCH 5 23 ATOM 23 N LIG 1 -3.560 -0.560 -0.266 0.00 0.00 -0.280 N ATOM 24 H LIG 1 -3.998 0.230 0.204 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -4.466 -1.469 -0.781 0.00 0.00 +0.267 C ATOM 26 O LIG 1 -4.218 -2.504 -1.387 0.00 0.00 -0.268 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.891 -1.072 -0.526 0.00 0.00 +0.126 A ATOM 28 N LIG 1 -6.069 0.106 0.138 0.00 0.00 -0.241 NA ATOM 29 C LIG 1 -7.344 0.482 0.385 0.00 0.00 +0.089 A ATOM 30 C LIG 1 -8.444 -0.273 -0.012 0.00 0.00 +0.030 A ATOM 31 C LIG 1 -8.230 -1.472 -0.691 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.930 -1.885 -0.955 0.00 0.00 +0.033 A BRANCH 29 33 ATOM 33 C LIG 1 -7.455 1.749 1.097 0.00 0.00 +0.084 A ATOM 34 N LIG 1 -8.592 2.197 1.721 0.00 0.00 -0.275 N ATOM 35 H LIG 1 -9.491 1.735 1.792 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -8.462 3.397 2.311 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -7.192 3.725 2.078 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -6.519 2.741 1.335 0.00 0.00 +0.050 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 5 23 TORSDOF 7