REMARK Name = BDB061085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.355 -1.859 2.790 0.00 0.00 +0.132 C ATOM 2 N LIG 1 -3.582 -1.260 1.709 0.00 0.00 -0.298 N ATOM 3 C LIG 1 -2.363 -1.893 1.412 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -1.968 -2.836 2.103 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -1.579 -1.423 0.174 0.00 0.00 +0.217 C ATOM 6 C LIG 1 -1.033 -0.000 0.357 0.00 0.00 +0.148 C ATOM 7 N LIG 1 0.356 -0.145 -0.053 0.00 0.00 -0.254 N ATOM 8 C LIG 1 0.602 -1.472 -0.188 0.00 0.00 +0.186 C ATOM 9 C LIG 1 1.058 1.001 -0.308 0.00 0.00 +0.189 C ATOM 10 N LIG 1 0.503 2.131 -0.660 0.00 0.00 -0.226 NA ATOM 11 C LIG 1 -0.857 2.100 -0.870 0.00 0.00 +0.120 C ATOM 12 C LIG 1 -1.661 1.099 -0.461 0.00 0.00 +0.003 C ATOM 13 C LIG 1 -3.094 1.024 -0.817 0.00 0.00 +0.004 A ATOM 14 C LIG 1 -4.088 0.524 0.042 0.00 0.00 -0.019 A ATOM 15 C LIG 1 -5.399 0.369 -0.451 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -5.711 0.738 -1.760 0.00 0.00 +0.144 A ATOM 17 N LIG 1 -4.761 1.231 -2.594 0.00 0.00 -0.250 NA ATOM 18 C LIG 1 -3.499 1.350 -2.116 0.00 0.00 +0.120 A ATOM 19 N LIG 1 -0.375 -2.317 -0.054 0.00 0.00 -0.261 NA ATOM 20 C LIG 1 -3.833 0.162 1.482 0.00 0.00 +0.143 C ENDROOT BRANCH 16 21 ATOM 21 C LIG 1 -7.138 0.549 -2.265 0.00 0.00 +0.434 C ATOM 22 F LIG 1 -8.069 0.906 -1.329 0.00 0.00 -0.164 F ATOM 23 F LIG 1 -7.441 1.274 -3.378 0.00 0.00 -0.164 F ATOM 24 F LIG 1 -7.414 -0.751 -2.572 0.00 0.00 -0.164 F ENDBRANCH 16 21 BRANCH 9 25 ATOM 25 N LIG 1 2.420 0.953 -0.222 0.00 0.00 -0.312 N ATOM 26 H LIG 1 2.781 1.867 -0.493 0.00 0.00 +0.149 HD BRANCH 25 27 ATOM 27 C LIG 1 3.078 0.508 0.999 0.00 0.00 +0.142 C BRANCH 27 28 ATOM 28 C LIG 1 4.568 0.591 0.836 0.00 0.00 +0.012 A ATOM 29 C LIG 1 5.272 -0.227 -0.044 0.00 0.00 +0.005 A ATOM 30 C LIG 1 4.795 -1.321 -0.924 0.00 0.00 +0.080 C ATOM 31 C LIG 1 6.052 -1.526 -1.770 0.00 0.00 +0.234 C ATOM 32 O LIG 1 7.198 -1.029 -1.042 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 6.655 -0.141 -0.150 0.00 0.00 +0.124 A ATOM 34 C LIG 1 7.399 0.748 0.599 0.00 0.00 +0.049 A ATOM 35 C LIG 1 6.715 1.587 1.477 0.00 0.00 +0.042 A ATOM 36 C LIG 1 5.320 1.504 1.588 0.00 0.00 +0.129 A ATOM 37 F LIG 1 4.700 2.323 2.450 0.00 0.00 -0.205 F ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 9 25 TORSDOF 4