REMARK Name = BDB055732 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.803 0.627 -5.329 0.00 0.00 -0.276 OA ATOM 2 C LIG 1 -0.753 -0.240 -4.459 0.00 0.00 +0.215 C ATOM 3 N LIG 1 0.356 -0.491 -3.692 0.00 0.00 -0.307 N ATOM 4 H LIG 1 0.258 -1.132 -2.921 0.00 0.00 +0.149 HD ENDROOT BRANCH 3 5 ATOM 5 C LIG 1 1.590 0.267 -3.847 0.00 0.00 +0.200 C BRANCH 5 6 ATOM 6 C LIG 1 1.645 1.541 -2.988 0.00 0.00 +0.233 C ATOM 7 N LIG 1 1.760 1.421 -1.600 0.00 0.00 -0.296 N ATOM 8 C LIG 1 1.587 0.167 -0.869 0.00 0.00 +0.113 C ATOM 9 C LIG 1 2.333 0.145 0.467 0.00 0.00 +0.054 C ATOM 10 C LIG 1 2.113 1.407 1.253 0.00 0.00 -0.041 C ATOM 11 C LIG 1 1.763 2.537 0.611 0.00 0.00 -0.004 C ATOM 12 C LIG 1 1.544 2.664 -0.864 0.00 0.00 +0.135 C ATOM 13 O LIG 1 1.626 2.651 -3.530 0.00 0.00 -0.274 OA BRANCH 10 14 ATOM 14 C LIG 1 2.291 1.375 2.722 0.00 0.00 -0.022 A ATOM 15 C LIG 1 1.421 2.086 3.567 0.00 0.00 +0.011 A ATOM 16 C LIG 1 1.561 2.033 4.954 0.00 0.00 +0.039 A ATOM 17 C LIG 1 2.570 1.263 5.508 0.00 0.00 +0.123 A ATOM 18 F LIG 1 2.702 1.205 6.838 0.00 0.00 -0.205 F ATOM 19 C LIG 1 3.444 0.549 4.702 0.00 0.00 +0.039 A ATOM 20 C LIG 1 3.303 0.603 3.312 0.00 0.00 +0.011 A ENDBRANCH 10 14 ENDBRANCH 5 6 ENDBRANCH 3 5 BRANCH 2 21 ATOM 21 C LIG 1 -1.927 -1.150 -4.174 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 -2.627 -0.785 -2.865 0.00 0.00 +0.094 C BRANCH 22 23 ATOM 23 N LIG 1 -1.925 -1.224 -1.639 0.00 0.00 -0.293 NA ATOM 24 C LIG 1 -2.528 -0.652 -0.399 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -2.546 0.898 -0.425 0.00 0.00 +0.128 C ATOM 26 N LIG 1 -2.795 1.500 0.859 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -3.081 2.467 0.897 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -2.131 1.088 1.983 0.00 0.00 +0.244 C ATOM 29 C LIG 1 -1.542 -0.272 1.938 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -0.822 -0.733 3.047 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -0.308 -2.025 3.058 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -0.555 -2.878 1.987 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -1.283 -2.429 0.881 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -1.679 -3.370 -0.216 0.00 0.00 +0.051 C ATOM 35 O LIG 1 -2.067 1.808 2.973 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 -1.750 -1.109 0.829 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -1.838 -2.698 -1.587 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 6