REMARK Name = BDB024038 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.493 -1.812 0.258 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.781 -2.316 -1.006 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.194 -2.494 -1.904 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.080 -2.652 -1.375 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.129 -2.477 -0.474 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.882 -1.949 0.799 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.560 -1.639 1.157 0.00 0.00 +0.018 A ENDROOT BRANCH 1 11 ATOM 8 N LIG 1 3.329 0.227 -0.953 0.00 0.00 -0.301 NA ATOM 9 C LIG 1 2.814 0.712 0.339 0.00 0.00 +0.092 C ATOM 10 C LIG 1 1.339 0.401 0.530 0.00 0.00 +0.089 C ATOM 11 P LIG 1 1.134 -1.379 0.780 0.00 0.00 +0.122 P ATOM 12 O LIG 1 1.429 -1.716 2.224 0.00 0.00 -0.316 OA ATOM 13 C LIG 1 2.452 -2.034 -0.257 0.00 0.00 +0.089 C ATOM 14 C LIG 1 2.801 -1.077 -1.389 0.00 0.00 +0.092 C BRANCH 8 15 ATOM 15 C LIG 1 4.801 0.292 -0.973 0.00 0.00 +0.087 C BRANCH 15 17 ATOM 16 C LIG 1 6.929 0.417 -2.309 0.00 0.00 +0.008 C ATOM 17 C LIG 1 5.401 0.386 -2.395 0.00 0.00 -0.003 C ATOM 18 C LIG 1 4.897 1.621 -3.144 0.00 0.00 +0.008 C ENDBRANCH 15 17 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 -4.013 -1.753 1.785 0.00 0.00 +0.093 C BRANCH 19 20 ATOM 20 C LIG 1 -4.084 -0.335 2.340 0.00 0.00 +0.074 A ATOM 21 C LIG 1 -4.671 0.760 1.522 0.00 0.00 +0.011 A ATOM 22 C LIG 1 -4.672 2.038 2.079 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -5.197 3.126 1.369 0.00 0.00 +0.014 A ATOM 24 C LIG 1 -5.723 2.933 0.093 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -5.730 1.657 -0.467 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -4.116 2.236 3.427 0.00 0.00 +0.272 A ATOM 27 O LIG 1 -4.098 3.343 3.955 0.00 0.00 -0.266 OA ATOM 28 N LIG 1 -3.628 1.114 4.050 0.00 0.00 -0.242 N ATOM 29 H LIG 1 -3.236 1.230 4.980 0.00 0.00 +0.192 HD ATOM 30 C LIG 1 -5.208 0.570 0.243 0.00 0.00 +0.010 A ATOM 31 N LIG 1 -3.600 -0.142 3.532 0.00 0.00 -0.175 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 5