REMARK Name = BDB024009 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.588 0.014 1.006 0.00 0.00 +0.047 A ATOM 2 C LIG 1 0.489 1.345 1.395 0.00 0.00 +0.134 A ATOM 3 F LIG 1 -0.691 1.972 1.327 0.00 0.00 -0.205 F ATOM 4 C LIG 1 1.592 2.050 1.865 0.00 0.00 +0.039 A ATOM 5 C LIG 1 2.832 1.418 1.948 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.972 0.080 1.557 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.840 -0.614 1.102 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 -3.874 -0.204 0.101 0.00 0.00 -0.302 N ATOM 9 C LIG 1 -3.029 -0.532 -1.069 0.00 0.00 +0.115 C ATOM 10 C LIG 1 -1.615 -0.003 -0.927 0.00 0.00 +0.093 C ATOM 11 P LIG 1 -0.802 -0.889 0.411 0.00 0.00 +0.122 P ATOM 12 O LIG 1 -0.467 -2.288 -0.057 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 -2.101 -0.973 1.652 0.00 0.00 +0.093 C ATOM 14 C LIG 1 -3.199 0.039 1.389 0.00 0.00 +0.115 C BRANCH 8 16 ATOM 15 N LIG 1 -5.312 1.551 0.507 0.00 0.00 -0.142 NA ATOM 16 C LIG 1 -5.108 0.427 -0.121 0.00 0.00 +0.197 C BRANCH 16 17 ATOM 17 N LIG 1 -5.906 -0.236 -1.052 0.00 0.00 -0.302 N ATOM 18 C LIG 1 -5.968 -1.682 -0.987 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -7.378 -1.557 -1.567 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -7.345 -0.152 -0.965 0.00 0.00 +0.109 C ENDBRANCH 16 17 BRANCH 15 22 ATOM 21 N LIG 1 -7.333 2.947 0.084 0.00 0.00 -0.169 NA ATOM 22 C LIG 1 -6.394 2.292 0.270 0.00 0.00 +0.208 C ENDBRANCH 15 22 ENDBRANCH 8 16 ENDBRANCH 1 11 BRANCH 6 23 ATOM 23 C LIG 1 4.311 -0.617 1.656 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 5.415 0.099 0.887 0.00 0.00 +0.074 A ATOM 25 C LIG 1 5.531 -0.073 -0.585 0.00 0.00 +0.011 A ATOM 26 C LIG 1 6.549 0.630 -1.227 0.00 0.00 +0.050 A ATOM 27 C LIG 1 6.726 0.527 -2.613 0.00 0.00 +0.014 A ATOM 28 C LIG 1 5.878 -0.287 -3.360 0.00 0.00 +0.001 A ATOM 29 C LIG 1 4.859 -0.996 -2.724 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.445 1.485 -0.432 0.00 0.00 +0.272 A ATOM 31 O LIG 1 8.353 2.122 -0.955 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 7.204 1.523 0.919 0.00 0.00 -0.242 N ATOM 33 H LIG 1 7.814 2.106 1.483 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 4.684 -0.892 -1.341 0.00 0.00 +0.010 A ATOM 35 N LIG 1 6.217 0.858 1.576 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 6