REMARK Name = BDB035518 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.365 0.634 -0.668 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.883 1.254 -0.810 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.226 2.224 -1.459 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.829 0.510 0.032 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.180 0.732 0.220 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.874 -0.123 1.089 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.184 -1.181 1.727 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.806 -1.393 1.524 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.146 -0.523 0.661 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.289 -0.496 0.247 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.995 0.669 -1.660 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.777 0.325 -1.043 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.575 1.008 -1.318 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.618 2.051 -2.248 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.809 2.398 -2.888 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.984 1.712 -2.601 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.326 -0.035 -1.374 0.00 0.00 +0.092 C BRANCH 17 20 ATOM 18 C LIG 1 -5.090 2.315 0.817 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.260 1.890 0.096 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.394 0.892 -0.841 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.654 0.872 -1.238 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -8.344 1.843 -0.560 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -7.495 2.449 0.233 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.260 -1.377 -0.609 0.00 0.00 +0.032 C ATOM 25 C LIG 1 -6.487 -2.263 -0.802 0.00 0.00 +0.164 C ATOM 26 O LIG 1 -6.400 -3.273 0.218 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -5.537 -2.792 1.257 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -5.183 -1.357 0.908 0.00 0.00 +0.035 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.069 -2.518 2.199 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.566 -3.413 1.306 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.831 -3.234 3.068 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.002 -2.072 2.914 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.360 0.070 1.308 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.107 -0.480 0.180 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.918 -1.479 0.106 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.538 -0.147 0.234 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.132 -0.498 -1.163 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.835 0.875 -1.137 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.745 1.345 -0.151 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.287 -0.716 1.424 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8