REMARK Name = BDB047838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.397 -0.486 -1.050 0.00 0.00 +0.190 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.076 -1.689 -0.249 0.00 0.00 -0.018 A ATOM 3 C LIG 1 0.208 -1.632 1.148 0.00 0.00 +0.006 A ATOM 4 C LIG 1 0.642 -2.748 1.865 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.934 -3.937 1.198 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.785 -4.014 -0.185 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.354 -2.899 -0.905 0.00 0.00 +0.006 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.713 0.754 -0.888 0.00 0.00 -0.284 N ATOM 9 H LIG 1 2.067 -0.145 -1.198 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 0.344 0.820 -0.648 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -0.255 1.780 -0.167 0.00 0.00 -0.273 OA BRANCH 8 20 ATOM 12 O LIG 1 8.089 4.152 -0.355 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 6.958 3.715 -0.416 0.00 0.00 +0.249 C ATOM 14 C LIG 1 6.482 2.332 -0.799 0.00 0.00 +0.048 C ATOM 15 C LIG 1 7.182 1.246 -1.163 0.00 0.00 +0.041 C ATOM 16 C LIG 1 5.012 2.350 -0.672 0.00 0.00 +0.010 A ATOM 17 C LIG 1 4.669 3.636 -0.257 0.00 0.00 +0.042 A ATOM 18 C LIG 1 3.365 4.019 -0.033 0.00 0.00 +0.026 A ATOM 19 C LIG 1 2.365 3.062 -0.239 0.00 0.00 +0.025 A ATOM 20 C LIG 1 2.680 1.756 -0.660 0.00 0.00 +0.034 A ATOM 21 C LIG 1 4.022 1.400 -0.883 0.00 0.00 +0.033 A ATOM 22 N LIG 1 5.804 4.422 -0.114 0.00 0.00 -0.281 N ATOM 23 H LIG 1 5.825 5.386 0.182 0.00 0.00 +0.155 HD BRANCH 15 24 ATOM 24 C LIG 1 8.584 1.179 -1.333 0.00 0.00 +0.059 A ATOM 25 N LIG 1 9.217 -0.022 -1.105 0.00 0.00 -0.345 N ATOM 26 H LIG 1 8.787 -0.877 -0.782 0.00 0.00 +0.167 HD ATOM 27 C LIG 1 10.547 0.139 -1.365 0.00 0.00 +0.196 A ATOM 28 N LIG 1 10.813 1.360 -1.759 0.00 0.00 -0.244 NA ATOM 29 C LIG 1 9.606 2.018 -1.732 0.00 0.00 +0.138 A ENDBRANCH 15 24 ENDBRANCH 8 20 ENDBRANCH 1 10 BRANCH 1 30 ATOM 30 N LIG 1 -1.831 -0.327 -0.902 0.00 0.00 -0.296 N ATOM 31 H LIG 1 -2.165 0.196 -0.091 0.00 0.00 +0.150 HD ATOM 32 C LIG 1 -2.731 -0.899 -1.755 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -2.382 -1.531 -2.750 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -4.172 -0.707 -1.409 0.00 0.00 +0.101 A ATOM 35 C LIG 1 -4.649 -0.034 -0.156 0.00 0.00 +0.264 A ATOM 36 O LIG 1 -3.839 0.401 0.663 0.00 0.00 -0.267 OA ATOM 37 N LIG 1 -6.035 0.059 0.016 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -6.928 -0.453 -0.909 0.00 0.00 +0.089 A ATOM 39 C LIG 1 -6.499 -1.055 -2.023 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -5.087 -1.182 -2.274 0.00 0.00 +0.020 A BRANCH 37 41 ATOM 41 C LIG 1 -6.548 0.687 1.233 0.00 0.00 +0.160 C BRANCH 41 42 ATOM 42 C LIG 1 -6.869 -0.327 2.310 0.00 0.00 -0.025 A ATOM 43 C LIG 1 -8.187 -0.765 2.510 0.00 0.00 +0.046 A ATOM 44 C LIG 1 -8.464 -1.713 3.492 0.00 0.00 +0.159 A ATOM 45 F LIG 1 -9.729 -2.120 3.670 0.00 0.00 -0.202 F ATOM 46 C LIG 1 -7.445 -2.235 4.277 0.00 0.00 +0.158 A ATOM 47 F LIG 1 -7.717 -3.147 5.220 0.00 0.00 -0.202 F ATOM 48 C LIG 1 -6.133 -1.816 4.092 0.00 0.00 +0.041 A ATOM 49 C LIG 1 -5.845 -0.865 3.109 0.00 0.00 +0.008 A ENDBRANCH 41 42 ENDBRANCH 37 41 ENDBRANCH 32 34 ENDBRANCH 1 30 TORSDOF 8