REMARK Name = BDB026143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.976 1.152 1.165 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.553 0.409 0.037 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.192 0.201 -0.210 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.207 0.711 0.656 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.651 1.435 1.774 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.235 1.931 2.653 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.005 1.655 2.032 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -7.091 -0.186 1.187 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -6.437 0.399 2.450 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.972 1.765 2.698 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.810 2.151 4.101 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.335 2.758 1.799 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.791 2.688 1.723 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -4.370 1.313 1.377 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.884 0.316 2.352 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 1.226 0.494 0.384 0.00 0.00 +0.003 A ATOM 17 C LIG 1 2.182 1.493 0.548 0.00 0.00 +0.121 A ATOM 18 N LIG 1 3.509 1.361 0.292 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 3.972 0.173 -0.149 0.00 0.00 +0.121 A ATOM 20 C LIG 1 3.085 -0.882 -0.353 0.00 0.00 +0.044 A ATOM 21 C LIG 1 1.721 -0.725 -0.084 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 5.324 0.045 -0.439 0.00 0.00 -0.313 N ATOM 23 C LIG 1 6.143 1.257 -0.295 0.00 0.00 +0.122 C ATOM 24 C LIG 1 7.542 0.999 -0.896 0.00 0.00 +0.103 C ATOM 25 N LIG 1 8.308 -0.091 -0.243 0.00 0.00 -0.299 NA ATOM 26 C LIG 1 7.403 -1.022 0.463 0.00 0.00 +0.103 C ATOM 27 C LIG 1 6.005 -1.231 -0.169 0.00 0.00 +0.122 C BRANCH 25 28 ATOM 28 C LIG 1 9.180 -0.750 -1.222 0.00 0.00 +0.088 C BRANCH 28 29 ATOM 29 C LIG 1 10.254 -1.543 -0.533 0.00 0.00 +0.003 C ATOM 30 C LIG 1 11.328 -0.845 0.265 0.00 0.00 +0.005 C ATOM 31 C LIG 1 11.677 -1.506 -1.039 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 32 ATOM 32 N LIG 1 -3.586 -0.064 -0.798 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -4.503 0.236 -0.474 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -3.488 -0.901 -1.882 0.00 0.00 +0.249 C ATOM 35 O LIG 1 -2.484 -1.437 -2.329 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -4.784 -1.189 -2.544 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -5.177 -2.515 -2.808 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -6.389 -2.729 -3.490 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -7.182 -1.650 -3.870 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -8.334 -1.875 -4.513 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -6.800 -0.344 -3.593 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -5.594 -0.107 -2.934 0.00 0.00 +0.016 A BRANCH 37 43 ATOM 43 C LIG 1 -4.348 -3.695 -2.364 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -5.077 -4.852 -2.351 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.874 -3.573 -1.093 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.287 -3.953 -3.171 0.00 0.00 -0.166 F ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 8