REMARK Name = BDB029292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.299 -0.426 -0.346 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.631 -1.191 -1.335 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.224 -1.226 -1.427 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.503 -0.486 -0.492 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.026 -0.372 -0.289 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.088 0.414 0.936 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.163 0.854 1.376 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.484 1.558 2.315 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.161 0.260 0.477 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.541 0.310 0.577 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.316 0.538 1.636 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.511 0.047 1.080 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.747 0.039 1.772 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -3.742 0.611 3.057 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.583 1.142 3.616 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.381 1.099 2.916 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.091 -0.593 1.132 0.00 0.00 +0.006 C ATOM 18 C LIG 1 -4.934 -1.803 0.145 0.00 0.00 +0.033 C ATOM 19 C LIG 1 -6.001 -2.609 0.932 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.546 -4.022 1.290 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -5.848 -1.587 2.084 0.00 0.00 +0.033 C BRANCH 19 22 ATOM 22 C LIG 1 -7.324 -2.632 0.331 0.00 0.00 +0.069 C ATOM 23 N LIG 1 -8.389 -2.631 -0.130 0.00 0.00 -0.196 NA ENDBRANCH 19 22 BRANCH 17 24 ATOM 24 C LIG 1 -6.005 0.539 0.610 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -5.411 1.352 -0.492 0.00 0.00 +0.134 A ATOM 26 N LIG 1 -5.725 2.665 -0.744 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -6.634 3.505 -0.002 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -4.989 3.034 -1.828 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -4.265 2.014 -2.229 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -4.538 0.953 -1.399 0.00 0.00 -0.135 NA ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 1.522 -2.051 -2.473 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.356 -2.822 -3.221 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.613 -2.905 -1.928 0.00 0.00 -0.166 F ATOM 34 F LIG 1 0.829 -1.281 -3.355 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.809 -0.474 -0.193 0.00 0.00 +0.119 C BRANCH 35 41 ATOM 36 C LIG 1 7.753 2.412 -0.834 0.00 0.00 +0.039 C ATOM 37 C LIG 1 7.689 1.659 -2.160 0.00 0.00 +0.129 C ATOM 38 O LIG 1 8.954 1.004 -2.361 0.00 0.00 -0.374 OA ATOM 39 C LIG 1 8.878 -0.427 -2.347 0.00 0.00 +0.175 C ATOM 40 C LIG 1 7.942 -0.939 -1.245 0.00 0.00 +0.113 C ATOM 41 N LIG 1 6.541 -0.529 -1.464 0.00 0.00 -0.294 NA ATOM 42 C LIG 1 6.468 0.712 -2.260 0.00 0.00 +0.116 C ENDBRANCH 35 41 ENDBRANCH 1 35 TORSDOF 8