REMARK Name = BDB035627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.069 0.319 -0.926 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.038 0.373 -1.780 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.118 0.377 -2.995 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.233 0.434 -0.929 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.562 0.494 -1.311 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.532 0.544 -0.302 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.128 0.524 1.056 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.771 0.462 1.428 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.832 0.419 0.402 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.341 0.348 0.473 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.825 0.144 -0.693 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.454 0.209 -0.348 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.435 0.245 -1.315 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.819 0.207 -2.658 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.167 0.139 -3.022 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.163 0.110 -2.049 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.852 0.137 0.438 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -5.197 3.131 -0.626 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.005 2.701 0.733 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.849 1.427 1.222 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -4.681 1.506 2.530 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.724 2.827 2.896 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.918 3.532 1.809 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -6.306 -0.266 0.083 0.00 0.00 +0.021 C BRANCH 24 25 ATOM 25 C LIG 1 -6.470 -1.763 -0.268 0.00 0.00 +0.018 C ATOM 26 C LIG 1 -7.872 -2.057 -0.786 0.00 0.00 +0.163 C ATOM 27 O LIG 1 -8.699 -2.283 0.361 0.00 0.00 -0.379 OA ATOM 28 C LIG 1 -7.855 -2.607 1.475 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -6.433 -2.669 0.951 0.00 0.00 +0.034 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.346 0.438 2.871 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.540 1.490 3.183 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.631 -0.679 3.177 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.380 0.480 3.753 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.003 0.597 -0.651 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.647 -0.670 -0.305 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 6.217 -1.415 -0.853 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 8.110 -0.610 -0.432 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.671 -1.884 0.269 0.00 0.00 +0.022 C ATOM 39 C LIG 1 9.696 -0.968 0.970 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.708 0.198 0.754 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.627 -0.357 -1.836 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9