REMARK Name = BDB057300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.710 0.357 0.406 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.159 -0.794 1.010 0.00 0.00 -0.288 N ATOM 3 C LIG 1 -0.634 -1.232 2.313 0.00 0.00 +0.162 C ATOM 4 C LIG 1 -1.755 -2.097 2.898 0.00 0.00 +0.033 C ATOM 5 C LIG 1 -2.438 -2.660 1.659 0.00 0.00 +0.021 C ATOM 6 C LIG 1 -2.404 -1.483 0.700 0.00 0.00 +0.109 C ATOM 7 O LIG 1 0.273 0.965 0.855 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 0.712 -1.993 2.215 0.00 0.00 +0.234 C ATOM 9 N LIG 1 1.682 -1.349 1.474 0.00 0.00 -0.307 N ATOM 10 H LIG 1 1.485 -0.382 1.216 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 0.950 -3.021 2.845 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 C LIG 1 3.067 -1.758 1.535 0.00 0.00 +0.104 C ATOM 13 C LIG 1 3.853 -1.147 0.410 0.00 0.00 -0.021 A ATOM 14 C LIG 1 4.548 -0.013 0.850 0.00 0.00 -0.007 A ATOM 15 C LIG 1 5.300 0.734 -0.033 0.00 0.00 +0.127 A ATOM 16 C LIG 1 5.382 0.339 -1.365 0.00 0.00 +0.038 A ATOM 17 C LIG 1 4.700 -0.806 -1.804 0.00 0.00 +0.003 A ATOM 18 F LIG 1 5.949 1.829 0.382 0.00 0.00 -0.205 F ATOM 19 C LIG 1 4.310 0.232 2.305 0.00 0.00 +0.040 C ATOM 20 C LIG 1 3.927 -1.557 -0.913 0.00 0.00 +0.006 A ATOM 21 C LIG 1 3.790 -1.145 2.754 0.00 0.00 +0.032 C ENDBRANCH 9 12 ENDBRANCH 3 8 BRANCH 1 22 ATOM 22 C LIG 1 -1.404 0.853 -0.880 0.00 0.00 +0.163 C BRANCH 22 24 ATOM 23 C LIG 1 -2.602 2.863 -0.117 0.00 0.00 +0.230 C ATOM 24 N LIG 1 -1.497 2.311 -0.734 0.00 0.00 -0.302 N ATOM 25 H LIG 1 -0.610 2.774 -0.574 0.00 0.00 +0.150 HD ATOM 26 O LIG 1 -3.620 2.204 0.102 0.00 0.00 -0.274 OA BRANCH 23 27 ATOM 27 C LIG 1 -2.516 4.385 0.187 0.00 0.00 +0.137 C ATOM 28 C LIG 1 -1.250 4.754 0.955 0.00 0.00 +0.034 C BRANCH 27 30 ATOM 29 C LIG 1 -4.184 6.091 0.672 0.00 0.00 +0.101 C ATOM 30 N LIG 1 -3.690 4.763 1.006 0.00 0.00 -0.309 NA ATOM 31 H LIG 1 -4.430 4.075 0.826 0.00 0.00 +0.122 HD ENDBRANCH 27 30 ENDBRANCH 23 27 ENDBRANCH 22 24 BRANCH 22 32 ATOM 32 C LIG 1 -0.549 0.496 -2.106 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 -0.695 -0.945 -2.538 0.00 0.00 -0.045 A ATOM 34 C LIG 1 0.178 -1.925 -2.046 0.00 0.00 +0.006 A ATOM 35 C LIG 1 0.033 -3.261 -2.422 0.00 0.00 +0.033 A ATOM 36 C LIG 1 -0.995 -3.621 -3.301 0.00 0.00 +0.126 A ATOM 37 C LIG 1 -1.877 -2.654 -3.799 0.00 0.00 +0.033 A ATOM 38 C LIG 1 -1.724 -1.319 -3.414 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 N LIG 1 -1.151 -5.024 -3.704 0.00 0.00 +0.056 N ATOM 40 O LIG 1 -2.119 -5.313 -4.422 0.00 0.00 -0.126 OA ATOM 41 O LIG 1 -0.306 -5.837 -3.302 0.00 0.00 -0.126 OA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 9