REMARK Name = BDB026306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.561 1.270 0.281 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.200 -0.068 0.003 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.148 -0.442 -0.056 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.175 0.497 0.158 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.790 1.817 0.439 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.720 2.762 0.645 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.548 2.205 0.503 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.340 3.838 3.140 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.813 3.521 1.736 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.832 3.918 0.724 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.708 5.337 0.378 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.751 3.075 -0.493 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.346 2.504 -0.773 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.934 1.603 0.329 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.418 2.016 1.671 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.590 0.102 0.087 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.097 -0.758 -0.866 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.392 -1.141 -0.953 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.252 -0.653 -0.046 0.00 0.00 +0.218 A ATOM 20 N LIG 1 4.863 0.191 0.922 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.558 0.546 0.965 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.586 -1.009 -0.129 0.00 0.00 -0.292 N ATOM 23 C LIG 1 6.926 -2.245 -0.851 0.00 0.00 +0.099 C ATOM 24 C LIG 1 7.469 -1.887 -2.235 0.00 0.00 +0.030 C ATOM 25 C LIG 1 7.952 -3.069 -0.038 0.00 0.00 +0.182 C ATOM 26 O LIG 1 9.141 -2.353 0.319 0.00 0.00 -0.376 OA ATOM 27 C LIG 1 8.901 -0.986 0.685 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.437 -0.650 1.006 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.278 -0.960 -0.195 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.177 -0.487 -0.100 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.224 -2.312 -0.425 0.00 0.00 +0.249 C ATOM 32 O LIG 1 -1.231 -3.024 -0.490 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.548 -2.967 -0.549 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.468 -2.635 -1.560 0.00 0.00 +0.070 A ATOM 35 C LIG 1 -5.704 -3.307 -1.583 0.00 0.00 +0.051 A ATOM 36 C LIG 1 -5.989 -4.293 -0.643 0.00 0.00 +0.124 A ATOM 37 F LIG 1 -7.170 -4.921 -0.688 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -5.066 -4.639 0.335 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -3.840 -3.978 0.381 0.00 0.00 +0.016 A BRANCH 34 40 ATOM 40 C LIG 1 -4.165 -1.591 -2.599 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -4.306 -0.330 -2.105 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -5.002 -1.653 -3.674 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -2.910 -1.669 -3.111 0.00 0.00 -0.166 F ENDBRANCH 34 40 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6