REMARK Name = BDB025762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.636 0.168 1.001 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.201 1.472 1.257 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.077 2.430 1.599 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.148 1.822 1.193 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -2.115 0.868 0.874 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.685 -0.465 0.631 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.328 -0.800 0.682 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.490 1.163 0.769 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -4.107 1.996 1.826 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.251 3.501 1.456 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.990 4.247 2.573 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.823 3.755 0.104 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.251 3.445 0.017 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.995 3.009 -0.888 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.422 3.268 -2.337 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.918 1.482 -0.617 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 4.769 -1.106 0.861 0.00 0.00 -0.294 NA ATOM 18 C LIG 1 4.513 0.334 0.702 0.00 0.00 +0.089 C ATOM 19 C LIG 1 3.061 0.592 0.258 0.00 0.00 +0.051 C ATOM 20 C LIG 1 2.062 -0.205 1.061 0.00 0.00 -0.039 C ATOM 21 C LIG 1 2.477 -1.227 1.832 0.00 0.00 -0.007 C ATOM 22 C LIG 1 3.914 -1.661 1.920 0.00 0.00 +0.112 C BRANCH 17 23 ATOM 23 C LIG 1 6.182 -1.387 1.160 0.00 0.00 +0.120 C BRANCH 23 27 ATOM 24 C LIG 1 8.867 -0.657 -2.162 0.00 0.00 +0.120 A ATOM 25 C LIG 1 7.783 -1.524 -2.303 0.00 0.00 +0.046 A ATOM 26 C LIG 1 6.912 -1.758 -1.236 0.00 0.00 +0.008 A ATOM 27 C LIG 1 7.111 -1.121 -0.006 0.00 0.00 -0.033 A ATOM 28 C LIG 1 8.201 -0.251 0.132 0.00 0.00 +0.008 A ATOM 29 C LIG 1 9.072 -0.019 -0.938 0.00 0.00 +0.046 A BRANCH 24 31 ATOM 30 C LIG 1 10.758 0.357 -3.184 0.00 0.00 +0.277 C ATOM 31 O LIG 1 9.644 -0.522 -3.280 0.00 0.00 -0.495 OA ENDBRANCH 24 31 ENDBRANCH 23 27 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 32 ATOM 32 N LIG 1 -2.714 -1.401 0.383 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.636 -0.974 0.439 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.605 -2.756 0.198 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.589 -3.437 0.171 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.935 -3.414 0.078 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -4.777 -3.336 -1.109 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -5.967 -3.969 -1.111 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -6.420 -4.736 0.077 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -7.506 -5.301 0.089 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -5.550 -4.762 1.137 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -5.849 -5.302 1.941 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -4.334 -4.126 1.145 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -4.278 -2.577 -2.298 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -5.084 -2.729 -3.380 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.231 -1.244 -2.050 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -3.040 -2.960 -2.682 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 6 32 TORSDOF 8