REMARK Name = BDB041210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.375 0.053 -0.354 0.00 0.00 +0.142 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.947 0.386 0.658 0.00 0.00 +0.125 A ATOM 3 C LIG 1 1.098 0.388 -0.463 0.00 0.00 +0.011 A ATOM 4 C LIG 1 1.636 0.663 -1.732 0.00 0.00 +0.009 A ATOM 5 C LIG 1 2.990 0.964 -1.885 0.00 0.00 +0.012 A ATOM 6 C LIG 1 3.830 1.008 -0.769 0.00 0.00 +0.021 A ATOM 7 C LIG 1 3.302 0.701 0.495 0.00 0.00 +0.057 A BRANCH 6 8 ATOM 8 C LIG 1 5.255 1.325 -0.887 0.00 0.00 +0.141 A ATOM 9 N LIG 1 5.792 2.407 -1.553 0.00 0.00 -0.333 N ATOM 10 C LIG 1 5.070 3.475 -2.204 0.00 0.00 +0.150 C ATOM 11 C LIG 1 7.155 2.350 -1.436 0.00 0.00 +0.119 A ATOM 12 C LIG 1 7.423 1.237 -0.661 0.00 0.00 +0.162 A ATOM 13 N LIG 1 6.224 0.629 -0.317 0.00 0.00 -0.224 NA BRANCH 12 14 ATOM 14 C LIG 1 8.753 0.705 -0.212 0.00 0.00 +0.436 C ATOM 15 F LIG 1 8.785 0.433 1.120 0.00 0.00 -0.164 F ATOM 16 F LIG 1 9.097 -0.438 -0.862 0.00 0.00 -0.164 F ATOM 17 F LIG 1 9.757 1.596 -0.445 0.00 0.00 -0.164 F ENDBRANCH 12 14 ENDBRANCH 6 8 BRANCH 2 19 ATOM 18 C LIG 1 2.227 -0.115 2.974 0.00 0.00 +0.277 C ATOM 19 O LIG 1 1.365 0.070 1.857 0.00 0.00 -0.495 OA ENDBRANCH 2 19 ENDBRANCH 1 3 BRANCH 1 20 ATOM 20 N LIG 1 -0.586 -1.306 -0.835 0.00 0.00 -0.322 N ATOM 21 H LIG 1 0.031 -1.970 -0.371 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.914 -1.770 -0.706 0.00 0.00 +0.165 A ATOM 23 C LIG 1 -2.159 -3.137 -0.845 0.00 0.00 +0.178 A ATOM 24 C LIG 1 -3.484 -3.510 -0.770 0.00 0.00 +0.162 A ATOM 25 N LIG 1 -4.503 -2.647 -0.583 0.00 0.00 -0.232 NA ATOM 26 C LIG 1 -4.166 -1.349 -0.459 0.00 0.00 +0.162 A ATOM 27 N LIG 1 -2.908 -0.878 -0.535 0.00 0.00 -0.209 NA BRANCH 26 28 ATOM 28 C LIG 1 -5.263 -0.381 -0.275 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -5.176 0.718 0.624 0.00 0.00 -0.034 A ATOM 30 C LIG 1 -6.267 1.615 0.682 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.422 1.431 -0.078 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.516 0.343 -0.930 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.450 -0.551 -1.025 0.00 0.00 +0.012 A BRANCH 29 34 ATOM 34 C LIG 1 -3.966 0.974 1.508 0.00 0.00 +0.020 C ATOM 35 C LIG 1 -3.577 -0.033 2.568 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -4.139 1.292 2.977 0.00 0.00 +0.009 C ENDBRANCH 29 34 ENDBRANCH 26 28 BRANCH 23 37 ATOM 37 O LIG 1 -1.085 -3.967 -1.009 0.00 0.00 -0.490 OA ATOM 38 C LIG 1 -1.367 -5.339 -1.258 0.00 0.00 +0.277 C ENDBRANCH 23 37 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9