REMARK Name = BDB064907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.865 -0.228 -1.278 0.00 0.00 +0.201 C ATOM 2 N LIG 1 -0.495 0.121 -1.654 0.00 0.00 -0.264 N ATOM 3 C LIG 1 0.343 0.908 -0.858 0.00 0.00 +0.256 C ATOM 4 O LIG 1 1.162 1.646 -1.421 0.00 0.00 -0.272 OA ATOM 5 C LIG 1 0.118 -1.154 -2.054 0.00 0.00 +0.161 C ATOM 6 C LIG 1 1.628 -1.279 -2.121 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -0.546 -2.092 -1.030 0.00 0.00 +0.237 C ATOM 8 O LIG 1 -0.238 -3.251 -0.801 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -1.637 -1.399 -0.474 0.00 0.00 -0.280 N ATOM 10 C LIG 1 -2.615 -2.094 0.327 0.00 0.00 +0.134 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -4.232 0.589 -0.763 0.00 0.00 +0.169 A ATOM 12 C LIG 1 -2.848 0.870 -0.882 0.00 0.00 +0.038 A ATOM 13 C LIG 1 -2.489 2.226 -0.775 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -3.427 3.203 -0.394 0.00 0.00 +0.130 A ATOM 15 C LIG 1 -4.761 2.872 -0.153 0.00 0.00 +0.082 A ATOM 16 C LIG 1 -5.176 1.558 -0.347 0.00 0.00 +0.164 A BRANCH 14 17 ATOM 17 N LIG 1 -2.996 4.598 -0.242 0.00 0.00 +0.057 N ATOM 18 O LIG 1 -1.783 4.811 -0.119 0.00 0.00 -0.126 OA ATOM 19 O LIG 1 -3.874 5.472 -0.237 0.00 0.00 -0.126 OA ENDBRANCH 14 17 BRANCH 16 20 ATOM 20 O LIG 1 -6.460 1.118 -0.159 0.00 0.00 -0.491 OA ATOM 21 C LIG 1 -7.409 2.034 0.372 0.00 0.00 +0.277 C ENDBRANCH 16 20 BRANCH 11 22 ATOM 22 O LIG 1 -4.645 -0.689 -1.065 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 -5.303 -2.089 -2.880 0.00 0.00 +0.048 C ATOM 24 C LIG 1 -5.499 -0.737 -2.216 0.00 0.00 +0.226 C ENDBRANCH 22 24 ENDBRANCH 11 22 ENDBRANCH 1 12 BRANCH 3 25 ATOM 25 C LIG 1 0.216 0.907 0.689 0.00 0.00 +0.326 C BRANCH 25 26 ATOM 26 O LIG 1 0.230 -0.343 1.350 0.00 0.00 -0.467 OA BRANCH 26 27 ATOM 27 C LIG 1 1.477 -0.861 1.618 0.00 0.00 +0.216 A ATOM 28 N LIG 1 2.575 -0.104 1.433 0.00 0.00 -0.212 NA ATOM 29 C LIG 1 3.789 -0.644 1.680 0.00 0.00 +0.082 A ATOM 30 C LIG 1 3.912 -1.974 2.140 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.171 -2.526 2.393 0.00 0.00 +0.052 A ATOM 32 C LIG 1 6.317 -1.767 2.196 0.00 0.00 +0.166 A ATOM 33 C LIG 1 6.238 -0.449 1.743 0.00 0.00 +0.161 A ATOM 34 F LIG 1 7.492 -2.355 2.460 0.00 0.00 -0.202 F ATOM 35 C LIG 1 2.749 -2.729 2.334 0.00 0.00 +0.015 A ATOM 36 C LIG 1 4.965 0.105 1.479 0.00 0.00 +0.034 A ATOM 37 C LIG 1 1.510 -2.163 2.070 0.00 0.00 +0.068 A BRANCH 33 38 ATOM 38 O LIG 1 7.304 0.385 1.525 0.00 0.00 -0.492 OA ATOM 39 C LIG 1 8.610 -0.118 1.783 0.00 0.00 +0.277 C ENDBRANCH 33 38 BRANCH 36 40 ATOM 40 C LIG 1 4.827 1.530 0.966 0.00 0.00 +0.161 C BRANCH 40 41 ATOM 41 C LIG 1 4.145 1.590 -0.379 0.00 0.00 +0.309 C ATOM 42 O LIG 1 4.276 0.800 -1.302 0.00 0.00 -0.251 OA BRANCH 41 43 ATOM 43 O LIG 1 3.317 2.652 -0.473 0.00 0.00 -0.480 OA ATOM 44 H LIG 1 2.696 2.411 -1.207 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 12