REMARK Name = BDB035154 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.294 1.581 -0.422 0.00 0.00 -0.296 NA ATOM 2 C LIG 1 0.754 2.620 -0.328 0.00 0.00 +0.100 C ATOM 3 C LIG 1 2.099 2.232 -0.995 0.00 0.00 +0.100 C ATOM 4 N LIG 1 2.357 0.781 -1.091 0.00 0.00 -0.292 NA ATOM 5 C LIG 1 1.240 0.190 -1.870 0.00 0.00 +0.100 C ATOM 6 C LIG 1 -0.159 0.853 -1.694 0.00 0.00 +0.100 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.532 0.118 0.229 0.00 0.00 +0.101 C ATOM 8 C LIG 1 3.037 -1.360 0.135 0.00 0.00 +0.166 C ATOM 9 N LIG 1 4.445 -1.483 -0.310 0.00 0.00 -0.267 NA ATOM 10 C LIG 1 5.229 -0.584 0.173 0.00 0.00 +0.120 C ATOM 11 C LIG 1 4.843 0.509 1.089 0.00 0.00 +0.041 C ATOM 12 C LIG 1 3.546 0.846 1.086 0.00 0.00 -0.003 C BRANCH 10 13 ATOM 13 N LIG 1 6.533 -0.702 -0.224 0.00 0.00 -0.270 N ATOM 14 H LIG 1 6.646 -1.485 -0.852 0.00 0.00 +0.156 HD ATOM 15 C LIG 1 7.645 0.078 0.043 0.00 0.00 +0.227 C ATOM 16 O LIG 1 7.678 1.108 0.698 0.00 0.00 -0.275 OA BRANCH 15 17 ATOM 17 C LIG 1 8.879 -0.402 -0.612 0.00 0.00 +0.150 C ATOM 18 C LIG 1 10.011 -0.822 0.247 0.00 0.00 +0.261 C ATOM 19 F LIG 1 11.306 -0.481 -0.071 0.00 0.00 -0.205 F ATOM 20 F LIG 1 9.922 -0.873 1.617 0.00 0.00 -0.205 F ATOM 21 C LIG 1 9.315 -1.855 -0.557 0.00 0.00 +0.095 C ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 -1.625 2.164 -0.218 0.00 0.00 +0.121 C BRANCH 22 32 ATOM 23 C LIG 1 -6.835 -0.919 0.549 0.00 0.00 +0.077 C ATOM 24 C LIG 1 -6.512 -0.116 1.807 0.00 0.00 +0.217 C ATOM 25 O LIG 1 -7.341 0.199 2.657 0.00 0.00 -0.275 OA ATOM 26 N LIG 1 -5.232 0.358 1.925 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -5.108 0.870 2.789 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -4.088 -0.374 1.425 0.00 0.00 +0.121 C ATOM 29 C LIG 1 -4.355 -1.141 0.113 0.00 0.00 +0.130 C ATOM 30 N LIG 1 -4.392 -0.271 -1.084 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 -3.586 0.735 -1.060 0.00 0.00 +0.110 C ATOM 32 C LIG 1 -2.682 1.133 0.049 0.00 0.00 -0.018 C ATOM 33 C LIG 1 -2.983 0.620 1.254 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -5.687 -1.884 0.222 0.00 0.00 +0.041 C BRANCH 23 36 ATOM 35 C LIG 1 -9.386 -0.817 0.496 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -8.156 -1.697 0.681 0.00 0.00 +0.009 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6