REMARK Name = BDB040036 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.031 0.091 1.618 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.639 -0.426 0.503 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.232 -0.771 -0.591 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.060 -0.514 0.859 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.117 -0.959 0.085 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.398 -0.944 0.652 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.566 -0.480 1.980 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -3.479 -0.031 2.755 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -2.221 -0.058 2.161 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.894 0.352 2.714 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 3.712 0.355 0.719 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.313 0.106 0.665 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.425 0.353 1.727 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.962 0.869 2.909 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.327 1.119 3.020 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.181 0.863 1.946 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.679 0.037 -0.579 0.00 0.00 +0.080 C ATOM 18 C LIG 1 4.104 0.415 -1.977 0.00 0.00 +0.177 C ATOM 19 O LIG 1 4.401 -0.911 -2.488 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 4.579 -1.405 -1.140 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 6.133 0.494 -0.347 0.00 0.00 +0.248 C ATOM 22 F LIG 1 6.636 -0.258 0.682 0.00 0.00 -0.236 F BRANCH 21 25 ATOM 23 C LIG 1 8.513 -1.511 -0.858 0.00 0.00 +0.151 C ATOM 24 N LIG 1 8.104 -0.418 -1.699 0.00 0.00 -0.318 N ATOM 25 C LIG 1 7.084 0.478 -1.499 0.00 0.00 +0.168 A ATOM 26 N LIG 1 7.137 1.381 -2.462 0.00 0.00 -0.132 NA ATOM 27 N LIG 1 8.157 1.048 -3.316 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 8.727 -0.035 -2.848 0.00 0.00 +0.224 A ENDBRANCH 21 25 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.662 0.470 4.162 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.901 -0.223 5.054 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.290 1.773 4.296 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -4.941 0.391 4.616 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.597 -1.407 -0.150 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -6.540 -0.311 -0.392 0.00 0.00 -0.293 NA ATOM 35 C LIG 1 -6.068 0.566 -1.503 0.00 0.00 +0.120 C ATOM 36 C LIG 1 -7.543 0.603 -2.007 0.00 0.00 +0.089 C ATOM 37 C LIG 1 -7.724 0.558 -3.512 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -7.650 -0.769 -1.274 0.00 0.00 +0.120 C BRANCH 36 39 ATOM 39 O LIG 1 -8.364 1.667 -1.461 0.00 0.00 -0.386 OA ATOM 40 H LIG 1 -8.174 1.630 -0.504 0.00 0.00 +0.210 HD ENDBRANCH 36 39 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8