REMARK Name = BDB026313 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.457 0.718 -0.701 0.00 0.00 +0.038 A ATOM 2 C LIG 1 1.377 -0.682 -0.733 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.458 -1.421 -1.033 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.184 -1.361 -0.488 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.983 -0.652 -0.202 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.928 0.761 -0.170 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.276 1.429 -0.412 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.221 -1.284 0.052 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.268 -2.054 1.315 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.804 -3.507 1.176 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -1.703 -4.481 0.732 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.981 -3.702 0.293 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.211 -3.817 1.081 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.118 -2.652 -0.751 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.739 -3.269 -2.008 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.780 -1.967 -1.130 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 5.001 1.506 -0.510 0.00 0.00 +0.218 A ATOM 18 N LIG 1 3.809 0.916 -0.326 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 2.724 1.421 -0.951 0.00 0.00 +0.079 A ATOM 20 C LIG 1 2.806 2.537 -1.755 0.00 0.00 +0.048 A ATOM 21 C LIG 1 4.053 3.090 -1.880 0.00 0.00 +0.116 A ATOM 22 N LIG 1 5.148 2.598 -1.276 0.00 0.00 -0.223 NA BRANCH 17 29 ATOM 23 C LIG 1 7.229 -2.411 1.482 0.00 0.00 +0.039 C ATOM 24 C LIG 1 7.346 -0.976 0.987 0.00 0.00 +0.133 C ATOM 25 O LIG 1 8.264 -0.976 -0.121 0.00 0.00 -0.371 OA ATOM 26 C LIG 1 8.228 0.225 -0.918 0.00 0.00 +0.133 C ATOM 27 C LIG 1 7.713 -0.140 -2.308 0.00 0.00 +0.039 C ATOM 28 C LIG 1 7.442 1.396 -0.287 0.00 0.00 +0.139 C ATOM 29 N LIG 1 6.104 0.978 0.137 0.00 0.00 -0.295 N ATOM 30 C LIG 1 5.967 -0.411 0.591 0.00 0.00 +0.139 C ENDBRANCH 17 29 ENDBRANCH 1 19 BRANCH 6 31 ATOM 31 N LIG 1 -2.149 1.408 0.121 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.898 0.736 0.282 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.399 2.753 0.200 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.606 3.671 0.034 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.809 3.055 0.583 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.962 2.771 -0.256 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -6.188 3.107 0.188 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -6.385 3.753 1.513 0.00 0.00 +0.252 A ATOM 39 O LIG 1 -7.525 4.017 1.879 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.226 4.006 2.239 0.00 0.00 -0.318 N ATOM 41 C LIG 1 -5.326 4.664 3.534 0.00 0.00 +0.152 C ATOM 42 C LIG 1 -3.968 3.665 1.768 0.00 0.00 +0.102 A BRANCH 36 43 ATOM 43 C LIG 1 -4.753 2.147 -1.599 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -3.801 2.775 -2.329 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.884 2.152 -2.353 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.383 0.846 -1.483 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 6