REMARK Name = BDB034380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.282 -1.493 1.119 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.532 -0.995 0.640 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.346 -1.862 -0.124 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.578 -1.412 -0.584 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -4.058 -0.115 -0.338 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -3.243 0.747 0.398 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -1.983 -3.113 -0.440 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -0.777 -3.539 -0.026 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.002 0.318 0.876 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.095 -2.778 0.729 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.371 0.320 -0.845 0.00 0.00 -0.014 A ATOM 12 C LIG 1 -5.500 1.511 -1.584 0.00 0.00 +0.058 A ATOM 13 C LIG 1 -6.751 1.878 -2.037 0.00 0.00 +0.167 A ATOM 14 O LIG 1 -7.037 2.993 -2.761 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 -8.461 2.841 -2.940 0.00 0.00 +0.466 C ATOM 16 O LIG 1 -8.994 1.653 -2.320 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 -7.866 1.115 -1.787 0.00 0.00 +0.166 A ATOM 18 C LIG 1 -7.792 -0.057 -1.070 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -6.534 -0.453 -0.599 0.00 0.00 +0.012 A ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 N LIG 1 0.565 -0.656 1.866 0.00 0.00 -0.342 N ATOM 21 H LIG 1 0.033 -0.073 2.508 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 1.809 -1.130 2.474 0.00 0.00 +0.116 C BRANCH 22 23 ATOM 23 C LIG 1 2.993 -1.018 1.494 0.00 0.00 +0.100 C BRANCH 23 24 ATOM 24 N LIG 1 4.239 -1.509 2.107 0.00 0.00 -0.310 NA ATOM 25 H LIG 1 4.120 -2.494 2.343 0.00 0.00 +0.122 HD BRANCH 24 26 ATOM 26 C LIG 1 5.370 -1.407 1.172 0.00 0.00 +0.120 C BRANCH 26 28 ATOM 27 C LIG 1 5.794 0.609 -0.343 0.00 0.00 +0.125 A ATOM 28 C LIG 1 5.827 0.015 0.936 0.00 0.00 +0.011 A ATOM 29 C LIG 1 6.300 0.765 2.028 0.00 0.00 +0.046 A ATOM 30 C LIG 1 6.728 2.073 1.847 0.00 0.00 +0.124 A ATOM 31 F LIG 1 7.174 2.776 2.895 0.00 0.00 -0.205 F ATOM 32 C LIG 1 6.702 2.660 0.591 0.00 0.00 +0.042 A ATOM 33 C LIG 1 6.236 1.929 -0.505 0.00 0.00 +0.049 A BRANCH 27 35 ATOM 34 C LIG 1 5.117 0.438 -2.626 0.00 0.00 +0.277 C ATOM 35 O LIG 1 5.323 -0.178 -1.361 0.00 0.00 -0.495 OA ENDBRANCH 27 35 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 8