REMARK Name = BDB011925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.303 1.538 -0.941 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.970 1.346 -1.495 0.00 0.00 -0.284 N ATOM 3 C LIG 1 -2.187 0.980 -0.732 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -2.713 2.219 -0.011 0.00 0.00 -0.012 A ATOM 5 C LIG 1 -2.552 3.480 -0.658 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -3.073 4.646 -0.072 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -3.758 4.578 1.137 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -3.920 3.349 1.761 0.00 0.00 +0.124 A ATOM 9 F LIG 1 -4.582 3.289 2.924 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -1.750 3.624 -1.947 0.00 0.00 +0.054 C ATOM 11 C LIG 1 -3.413 2.178 1.202 0.00 0.00 +0.044 A ATOM 12 C LIG 1 -1.303 2.289 -2.564 0.00 0.00 +0.113 C ATOM 13 O LIG 1 1.187 2.087 -1.614 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 14 ATOM 14 C LIG 1 -2.220 -0.430 -0.087 0.00 0.00 +0.242 C ATOM 15 N LIG 1 -1.393 -1.321 -0.756 0.00 0.00 -0.279 N ATOM 16 H LIG 1 -0.943 -0.972 -1.599 0.00 0.00 +0.155 HD ATOM 17 O LIG 1 -3.019 -0.736 0.790 0.00 0.00 -0.273 OA BRANCH 15 18 ATOM 18 C LIG 1 -1.136 -2.681 -0.460 0.00 0.00 +0.105 A ATOM 19 C LIG 1 -0.422 -3.395 -1.431 0.00 0.00 +0.147 A ATOM 20 F LIG 1 -0.044 -2.769 -2.559 0.00 0.00 -0.203 F ATOM 21 C LIG 1 -0.092 -4.740 -1.274 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -0.470 -5.406 -0.113 0.00 0.00 +0.006 A ATOM 23 C LIG 1 -1.166 -4.714 0.876 0.00 0.00 +0.040 A ATOM 24 C LIG 1 -1.491 -3.364 0.706 0.00 0.00 +0.147 A ATOM 25 F LIG 1 -2.106 -2.762 1.730 0.00 0.00 -0.203 F ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 1 26 ATOM 26 C LIG 1 0.684 0.928 0.429 0.00 0.00 +0.162 C BRANCH 26 28 ATOM 27 C LIG 1 1.881 -1.205 0.895 0.00 0.00 +0.230 C ATOM 28 N LIG 1 1.666 -0.110 0.098 0.00 0.00 -0.302 N ATOM 29 H LIG 1 2.334 0.131 -0.626 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 1.210 -1.413 1.907 0.00 0.00 -0.274 OA BRANCH 27 31 ATOM 31 C LIG 1 3.060 -2.142 0.505 0.00 0.00 +0.137 C ATOM 32 C LIG 1 3.356 -2.184 -0.991 0.00 0.00 +0.034 C BRANCH 31 34 ATOM 33 C LIG 1 3.886 -4.254 1.396 0.00 0.00 +0.101 C ATOM 34 N LIG 1 2.712 -3.509 0.962 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 2.079 -3.405 1.765 0.00 0.00 +0.122 HD ENDBRANCH 31 34 ENDBRANCH 27 31 ENDBRANCH 26 28 BRANCH 26 36 ATOM 36 C LIG 1 1.284 1.939 1.443 0.00 0.00 +0.012 C ATOM 37 C LIG 1 0.252 2.973 1.891 0.00 0.00 +0.009 C ATOM 38 C LIG 1 2.557 2.652 0.974 0.00 0.00 +0.009 C ENDBRANCH 26 36 ENDBRANCH 1 26 TORSDOF 7