REMARK Name = BDB026010 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.769 -0.971 0.309 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.109 -2.180 0.556 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.808 -3.319 0.685 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.281 -2.260 0.658 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.082 -1.129 0.501 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.425 0.115 0.306 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.028 0.181 0.194 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.476 -1.192 0.530 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.192 -2.037 1.500 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.974 -3.239 0.886 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.147 -4.533 0.897 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.651 -2.928 -0.389 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.406 -4.030 -0.965 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.843 -2.169 -1.363 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.796 -2.968 -2.152 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -4.202 -0.909 -0.726 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 C LIG 1 5.015 -0.671 -0.110 0.00 0.00 +0.121 A ATOM 18 N LIG 1 4.202 -0.071 -1.003 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 2.860 -0.186 -0.835 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.235 -0.893 0.190 0.00 0.00 +0.003 A ATOM 21 C LIG 1 3.094 -1.523 1.092 0.00 0.00 +0.013 A ATOM 22 C LIG 1 4.479 -1.416 0.940 0.00 0.00 +0.044 A BRANCH 17 29 ATOM 23 C LIG 1 8.812 0.692 -2.945 0.00 0.00 +0.039 C ATOM 24 C LIG 1 8.355 0.011 -1.662 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.963 0.712 -0.558 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.593 0.101 0.692 0.00 0.00 +0.133 C ATOM 27 C LIG 1 9.284 0.878 1.804 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.060 0.105 0.886 0.00 0.00 +0.137 C ATOM 29 N LIG 1 6.414 -0.582 -0.255 0.00 0.00 -0.310 N ATOM 30 C LIG 1 6.816 0.026 -1.545 0.00 0.00 +0.137 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.248 1.265 0.320 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.214 1.047 0.546 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.886 2.575 0.129 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.787 3.022 -0.163 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.031 3.504 0.329 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.934 3.892 -0.740 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.939 4.743 -0.465 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.139 5.290 0.904 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -6.074 6.057 1.105 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.224 4.867 1.865 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -4.335 5.376 3.224 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.189 3.996 1.567 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -3.711 3.328 -2.108 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.492 3.633 -2.609 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.827 1.975 -2.111 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.624 3.785 -3.006 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6