REMARK Name = BDB025934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.438 -0.888 0.476 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.809 0.382 0.496 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.585 0.492 0.413 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.402 -0.649 0.312 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.760 -1.895 0.303 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.480 -3.023 0.194 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.628 -2.021 0.382 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.623 -3.255 -1.650 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.413 -2.018 -1.203 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.386 -2.434 -0.159 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.733 -1.959 -0.487 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.986 -2.010 1.210 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.584 -2.971 2.245 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.446 -1.962 1.406 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.847 -0.953 0.511 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.475 -0.838 -0.829 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.864 -0.532 0.219 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.510 0.407 -0.559 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.852 0.530 -0.664 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.624 -0.315 0.037 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.093 -1.260 0.828 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.745 -1.349 0.898 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.012 -0.187 -0.042 0.00 0.00 -0.292 N ATOM 24 C LIG 1 7.503 0.376 -1.323 0.00 0.00 +0.099 C ATOM 25 C LIG 1 7.669 1.890 -1.196 0.00 0.00 +0.030 C ATOM 26 C LIG 1 8.862 -0.258 -1.712 0.00 0.00 +0.182 C ATOM 27 O LIG 1 8.818 -1.692 -1.783 0.00 0.00 -0.376 OA ATOM 28 C LIG 1 8.089 -2.296 -0.699 0.00 0.00 +0.179 C ATOM 29 C LIG 1 7.782 -1.335 0.459 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.672 1.490 0.636 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.644 1.206 0.741 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.350 2.823 0.661 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.245 3.335 0.558 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.549 3.683 0.850 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.427 4.077 -0.245 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.494 4.858 0.019 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.777 5.311 1.404 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.751 6.007 1.657 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.885 4.894 2.362 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.069 5.217 3.305 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.793 4.104 2.100 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.102 3.609 -1.629 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.190 2.257 -1.728 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.857 3.962 -2.024 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.961 4.110 -2.555 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6