REMARK Name = BDB018939 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.631 -1.434 0.601 0.00 0.00 -0.300 N ATOM 2 C LIG 1 0.655 -0.877 0.365 0.00 0.00 +0.038 A ATOM 3 C LIG 1 1.813 -1.415 0.954 0.00 0.00 -0.025 A ATOM 4 C LIG 1 3.070 -0.840 0.697 0.00 0.00 +0.014 A ATOM 5 C LIG 1 3.209 0.251 -0.174 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.073 0.769 -0.812 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.737 -2.581 1.904 0.00 0.00 +0.038 C ATOM 8 C LIG 1 0.422 -3.328 1.764 0.00 0.00 +0.024 C ATOM 9 C LIG 1 0.816 0.196 -0.530 0.00 0.00 +0.033 A ATOM 10 C LIG 1 -0.722 -2.326 1.774 0.00 0.00 +0.111 C ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -2.866 -1.242 -0.441 0.00 0.00 -0.024 A ATOM 12 C LIG 1 -1.859 -0.726 0.431 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.077 0.475 1.138 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -3.279 1.121 0.956 0.00 0.00 +0.071 A ATOM 15 N LIG 1 -3.760 2.312 1.516 0.00 0.00 -0.295 N ATOM 16 C LIG 1 -5.054 2.568 1.012 0.00 0.00 +0.330 A ATOM 17 N LIG 1 -5.351 1.500 0.139 0.00 0.00 -0.295 N ATOM 18 C LIG 1 -6.562 1.349 -0.613 0.00 0.00 +0.154 C ATOM 19 O LIG 1 -5.770 3.520 1.278 0.00 0.00 -0.246 OA ATOM 20 C LIG 1 -3.037 3.151 2.427 0.00 0.00 +0.154 C ATOM 21 C LIG 1 -4.262 0.619 0.106 0.00 0.00 +0.070 A ATOM 22 C LIG 1 -4.084 -0.549 -0.603 0.00 0.00 +0.033 A BRANCH 11 24 ATOM 23 C LIG 1 -1.949 -2.206 -2.575 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -2.642 -2.499 -1.253 0.00 0.00 +0.034 C ENDBRANCH 11 24 ENDBRANCH 1 12 BRANCH 5 25 ATOM 25 C LIG 1 4.532 0.798 -0.391 0.00 0.00 +0.020 A ATOM 26 C LIG 1 5.593 0.084 -0.906 0.00 0.00 +0.116 A ATOM 27 N LIG 1 6.645 0.953 -0.955 0.00 0.00 -0.274 N ATOM 28 C LIG 1 7.981 0.676 -1.423 0.00 0.00 +0.172 C ATOM 29 N LIG 1 6.342 2.185 -0.509 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 5.057 2.088 -0.157 0.00 0.00 +0.142 A ENDBRANCH 5 25 BRANCH 6 31 ATOM 31 C LIG 1 2.152 1.923 -1.778 0.00 0.00 +0.372 C ATOM 32 F LIG 1 2.329 3.116 -1.144 0.00 0.00 -0.204 F ATOM 33 F LIG 1 1.021 2.078 -2.528 0.00 0.00 -0.204 F ENDBRANCH 6 31 TORSDOF 4