REMARK Name = BDB030967 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.197 -1.956 0.840 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -0.610 -3.210 0.453 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -1.930 -3.280 0.076 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.768 -2.227 0.065 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.273 -1.047 0.450 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.007 -0.873 0.830 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.359 0.863 0.168 0.00 0.00 +0.080 A ATOM 8 C LIG 1 4.399 -0.061 1.231 0.00 0.00 +0.165 A ATOM 9 C LIG 1 3.255 -0.820 1.510 0.00 0.00 +0.091 A ATOM 10 C LIG 1 2.102 -0.743 0.730 0.00 0.00 +0.013 A ATOM 11 C LIG 1 1.159 -1.668 1.278 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.740 -2.232 2.397 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.091 0.150 -0.361 0.00 0.00 +0.013 A ATOM 14 N LIG 1 3.003 -1.716 2.523 0.00 0.00 -0.357 N ATOM 15 H LIG 1 3.657 -1.932 3.263 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.215 0.950 -0.625 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 5.735 2.611 -0.976 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.501 1.663 -0.026 0.00 0.00 -0.248 N ATOM 19 H LIG 1 6.247 1.546 0.648 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 5.004 2.958 -1.891 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 7.347 4.159 -1.675 0.00 0.00 +0.282 C ATOM 22 O LIG 1 6.969 3.140 -0.748 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 5.530 -0.157 2.016 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 6.333 -1.249 1.560 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 0.260 -4.411 0.428 0.00 0.00 +0.421 C ATOM 26 F LIG 1 1.456 -4.215 -0.190 0.00 0.00 -0.166 F ATOM 27 F LIG 1 0.543 -4.892 1.670 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -0.312 -5.460 -0.235 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -3.064 0.091 0.478 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -2.402 0.859 0.536 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.061 0.200 -0.588 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -4.264 1.693 -0.952 0.00 0.00 +0.103 C ATOM 33 N LIG 1 -5.332 1.920 -1.932 0.00 0.00 -0.312 NA ATOM 34 H LIG 1 -5.429 2.922 -2.097 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -6.623 1.358 -1.517 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -7.279 2.180 -0.403 0.00 0.00 +0.024 C ATOM 37 C LIG 1 -6.494 -0.127 -1.151 0.00 0.00 +0.020 C ATOM 38 C LIG 1 -5.397 -0.394 -0.122 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7