REMARK Name = BDB053368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.609 0.879 -0.329 0.00 0.00 +0.221 C ATOM 2 N LIG 1 -0.743 0.174 -1.539 0.00 0.00 -0.294 N ATOM 3 O LIG 1 0.130 1.858 -0.201 0.00 0.00 -0.275 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -1.561 1.357 2.007 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -1.357 0.309 0.879 0.00 0.00 +0.096 C ATOM 6 C LIG 1 -0.514 -0.849 1.428 0.00 0.00 +0.094 C ATOM 7 N LIG 1 -1.196 -1.598 2.491 0.00 0.00 -0.315 NA ATOM 8 H LIG 1 -0.497 -2.055 3.082 0.00 0.00 +0.122 HD ATOM 9 C LIG 1 -2.097 -0.783 3.304 0.00 0.00 +0.081 C ATOM 10 C LIG 1 -1.669 0.680 3.397 0.00 0.00 +0.024 C BRANCH 4 16 ATOM 11 C LIG 1 -5.684 5.220 0.795 0.00 0.00 +0.152 C ATOM 12 N LIG 1 -4.691 4.207 1.113 0.00 0.00 -0.318 N ATOM 13 C LIG 1 -5.105 2.968 1.594 0.00 0.00 +0.251 A ATOM 14 O LIG 1 -6.273 2.637 1.772 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 -4.020 1.990 1.900 0.00 0.00 +0.074 A ATOM 16 C LIG 1 -2.726 2.291 1.689 0.00 0.00 -0.037 A ATOM 17 C LIG 1 -2.398 3.596 1.141 0.00 0.00 +0.022 A ATOM 18 C LIG 1 -3.358 4.495 0.886 0.00 0.00 +0.089 A ENDBRANCH 4 16 ENDBRANCH 1 5 BRANCH 2 19 ATOM 19 C LIG 1 -1.989 -0.488 -1.869 0.00 0.00 +0.077 C ATOM 20 C LIG 1 -2.110 -1.600 -2.876 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -2.293 -1.897 -1.424 0.00 0.00 +0.024 C ENDBRANCH 2 19 BRANCH 2 22 ATOM 22 C LIG 1 0.127 0.570 -2.657 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 1.486 -0.051 -2.473 0.00 0.00 -0.002 A ATOM 24 C LIG 1 2.055 -1.170 -3.169 0.00 0.00 +0.040 A ATOM 25 C LIG 1 3.303 -1.448 -2.587 0.00 0.00 +0.052 A ATOM 26 C LIG 1 4.099 -2.524 -3.011 0.00 0.00 +0.026 A ATOM 27 C LIG 1 3.634 -3.324 -4.061 0.00 0.00 +0.005 A ATOM 28 C LIG 1 2.418 -3.055 -4.676 0.00 0.00 +0.039 A ATOM 29 N LIG 1 3.511 -0.495 -1.612 0.00 0.00 -0.342 N ATOM 30 C LIG 1 1.634 -1.987 -4.240 0.00 0.00 +0.133 A ATOM 31 F LIG 1 0.481 -1.735 -4.878 0.00 0.00 -0.205 F ATOM 32 C LIG 1 2.456 0.381 -1.586 0.00 0.00 +0.092 A BRANCH 29 33 ATOM 33 C LIG 1 4.683 -0.366 -0.754 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 4.465 -1.024 0.590 0.00 0.00 -0.028 A ATOM 35 C LIG 1 5.050 -2.269 0.879 0.00 0.00 +0.008 A ATOM 36 C LIG 1 4.836 -2.879 2.117 0.00 0.00 +0.038 A ATOM 37 C LIG 1 4.033 -2.253 3.063 0.00 0.00 +0.123 A ATOM 38 F LIG 1 3.819 -2.847 4.243 0.00 0.00 -0.205 F ATOM 39 C LIG 1 3.446 -1.023 2.800 0.00 0.00 +0.038 A ATOM 40 C LIG 1 3.664 -0.406 1.566 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 7