REMARK Name = BDB025907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.325 1.393 0.762 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.223 0.124 0.147 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.027 -0.384 -0.223 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.208 0.345 0.015 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.081 1.600 0.632 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.170 2.339 0.897 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.159 2.123 1.000 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.843 4.678 -0.261 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.378 3.585 0.702 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.318 4.150 2.079 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.575 3.917 2.793 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.166 3.618 2.840 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -2.802 2.145 2.549 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.615 1.877 1.100 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.021 3.003 0.219 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.523 -0.200 -0.374 0.00 0.00 -0.015 A ATOM 17 C LIG 1 3.460 0.573 -1.073 0.00 0.00 +0.010 A ATOM 18 C LIG 1 4.708 0.051 -1.448 0.00 0.00 +0.024 A ATOM 19 C LIG 1 5.077 -1.263 -1.140 0.00 0.00 +0.030 A ATOM 20 C LIG 1 4.133 -2.034 -0.445 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.885 -1.518 -0.070 0.00 0.00 +0.010 A BRANCH 19 22 ATOM 22 N LIG 1 6.309 -1.826 -1.489 0.00 0.00 -0.327 N ATOM 23 C LIG 1 7.145 -1.217 -2.544 0.00 0.00 +0.120 C ATOM 24 C LIG 1 8.335 -0.454 -1.925 0.00 0.00 +0.103 C ATOM 25 N LIG 1 9.263 -1.324 -1.161 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 9.896 -0.573 -0.081 0.00 0.00 +0.105 C ATOM 27 C LIG 1 8.574 -2.535 -0.659 0.00 0.00 +0.103 C ATOM 28 C LIG 1 7.072 -2.358 -0.331 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.446 -0.556 -0.042 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.235 -0.005 0.294 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -2.647 -1.818 -0.538 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -1.799 -2.618 -0.910 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -4.085 -2.219 -0.529 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -5.119 -1.583 -1.330 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -6.380 -2.047 -1.251 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -6.736 -3.186 -0.363 0.00 0.00 +0.252 A ATOM 37 O LIG 1 -7.905 -3.554 -0.310 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -5.682 -3.748 0.349 0.00 0.00 -0.318 N ATOM 39 C LIG 1 -5.936 -4.888 1.218 0.00 0.00 +0.152 C ATOM 40 C LIG 1 -4.386 -3.268 0.253 0.00 0.00 +0.102 A BRANCH 34 41 ATOM 41 C LIG 1 -4.751 -0.458 -2.244 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -5.762 -0.129 -3.090 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.677 -0.738 -3.018 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.466 0.669 -1.543 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6