REMARK Name = BDB022743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.591 -0.314 0.892 0.00 0.00 +0.086 A ATOM 2 C LIG 1 1.228 0.804 1.697 0.00 0.00 +0.177 A ATOM 3 N LIG 1 0.151 1.437 1.183 0.00 0.00 -0.166 NA ATOM 4 N LIG 1 -0.217 0.674 0.132 0.00 0.00 -0.266 N ATOM 5 C LIG 1 0.624 -0.378 -0.089 0.00 0.00 +0.122 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 3.950 -0.752 0.918 0.00 0.00 -0.306 N ATOM 7 H LIG 1 4.674 -1.460 0.995 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 2.684 -1.242 1.076 0.00 0.00 +0.248 C ATOM 9 O LIG 1 2.496 -2.422 1.350 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 4.331 0.424 0.150 0.00 0.00 +0.163 C BRANCH 10 14 ATOM 11 C LIG 1 7.753 1.730 -0.807 0.00 0.00 +0.158 A ATOM 12 C LIG 1 6.374 1.652 -0.610 0.00 0.00 +0.187 A ATOM 13 F LIG 1 5.576 2.671 -0.965 0.00 0.00 -0.200 F ATOM 14 C LIG 1 5.826 0.507 -0.046 0.00 0.00 +0.097 A ATOM 15 N LIG 1 6.585 -0.568 0.311 0.00 0.00 -0.255 NA ATOM 16 C LIG 1 7.918 -0.468 0.113 0.00 0.00 +0.115 A ATOM 17 C LIG 1 8.541 0.645 -0.434 0.00 0.00 +0.068 A BRANCH 11 19 ATOM 18 C LIG 1 9.613 3.017 -1.555 0.00 0.00 +0.277 C ATOM 19 O LIG 1 8.209 2.892 -1.367 0.00 0.00 -0.492 OA ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 20 ATOM 20 C LIG 1 1.921 1.257 2.954 0.00 0.00 +0.437 C ATOM 21 F LIG 1 1.088 1.889 3.825 0.00 0.00 -0.164 F ATOM 22 F LIG 1 2.475 0.222 3.641 0.00 0.00 -0.164 F ATOM 23 F LIG 1 2.934 2.125 2.685 0.00 0.00 -0.164 F ENDBRANCH 2 20 BRANCH 4 24 ATOM 24 C LIG 1 -1.383 1.040 -0.664 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 -2.565 0.152 -0.366 0.00 0.00 -0.026 A ATOM 26 C LIG 1 -3.059 -0.728 -1.338 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -4.157 -1.546 -1.059 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -4.780 -1.504 0.195 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.288 -0.621 1.165 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.193 0.199 0.887 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -5.973 -2.388 0.485 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 -7.206 -1.876 -0.111 0.00 0.00 -0.311 N ATOM 33 C LIG 1 -7.628 -2.406 -1.330 0.00 0.00 +0.252 A ATOM 34 O LIG 1 -7.050 -3.293 -1.953 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -8.882 -1.831 -1.891 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -9.531 -0.857 -1.240 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -9.024 -0.352 0.009 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -7.901 -0.861 0.529 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9