REMARK Name = BDB007965 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.857 -1.061 0.860 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.583 -0.542 0.610 0.00 0.00 +0.230 C ATOM 3 O LIG 1 -0.202 0.465 1.216 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 4 C LIG 1 -3.886 -1.888 -0.345 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -2.462 -2.189 0.124 0.00 0.00 +0.077 C BRANCH 5 6 ATOM 6 C LIG 1 -2.287 -3.449 0.944 0.00 0.00 +0.009 C ATOM 7 C LIG 1 -3.368 -4.043 1.816 0.00 0.00 +0.005 C ATOM 8 C LIG 1 -2.947 -4.751 0.557 0.00 0.00 +0.005 C ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 9 ATOM 9 C LIG 1 0.279 -1.244 -0.463 0.00 0.00 +0.180 C BRANCH 9 10 ATOM 10 N LIG 1 1.683 -0.779 -0.465 0.00 0.00 -0.294 NA ATOM 11 C LIG 1 2.400 -1.250 -1.648 0.00 0.00 +0.085 C ATOM 12 C LIG 1 3.735 -0.508 -1.769 0.00 0.00 +0.027 C ATOM 13 C LIG 1 4.460 -0.344 -0.422 0.00 0.00 +0.063 C ATOM 14 C LIG 1 3.895 -1.326 0.609 0.00 0.00 +0.027 C ATOM 15 C LIG 1 2.383 -1.136 0.782 0.00 0.00 +0.085 C BRANCH 13 16 ATOM 16 C LIG 1 5.961 -0.549 -0.601 0.00 0.00 +0.166 C ATOM 17 O LIG 1 6.500 -1.623 -0.329 0.00 0.00 -0.292 OA BRANCH 16 18 ATOM 18 C LIG 1 6.808 0.562 -1.145 0.00 0.00 +0.018 A ATOM 19 C LIG 1 6.290 1.818 -1.492 0.00 0.00 +0.014 A ATOM 20 C LIG 1 7.134 2.812 -1.996 0.00 0.00 +0.039 A ATOM 21 C LIG 1 8.491 2.553 -2.154 0.00 0.00 +0.123 A ATOM 22 F LIG 1 9.293 3.509 -2.638 0.00 0.00 -0.205 F ATOM 23 C LIG 1 9.023 1.317 -1.815 0.00 0.00 +0.039 A ATOM 24 C LIG 1 8.183 0.322 -1.311 0.00 0.00 +0.014 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 1 25 ATOM 25 C LIG 1 -2.596 -0.490 1.997 0.00 0.00 +0.182 C BRANCH 25 26 ATOM 26 C LIG 1 -3.324 0.791 1.601 0.00 0.00 +0.127 A ATOM 27 N LIG 1 -2.530 1.873 1.329 0.00 0.00 -0.309 N ATOM 28 H LIG 1 -1.517 1.765 1.334 0.00 0.00 +0.170 HD ATOM 29 C LIG 1 -3.034 3.067 0.908 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -2.331 4.010 0.567 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -4.505 3.136 0.873 0.00 0.00 +0.064 A ATOM 32 C LIG 1 -5.141 4.433 0.494 0.00 0.00 +0.202 C ATOM 33 O LIG 1 -6.552 4.447 0.769 0.00 0.00 -0.375 OA ATOM 34 C LIG 1 -7.194 3.253 0.317 0.00 0.00 +0.166 C ATOM 35 C LIG 1 -6.698 2.054 1.123 0.00 0.00 +0.084 C ATOM 36 C LIG 1 -5.192 2.025 1.181 0.00 0.00 +0.056 A ATOM 37 N LIG 1 -4.619 0.827 1.536 0.00 0.00 -0.237 NA ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 8