REMARK Name = BDB041098 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.515 -1.224 -1.284 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -3.742 -1.674 -2.536 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -2.631 -1.688 -3.302 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.391 -1.290 -2.840 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -0.456 -1.403 -3.827 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -1.110 -1.884 -4.922 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.216 -0.844 -1.536 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -2.447 -2.074 -4.649 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.327 -0.826 -0.761 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.204 -0.018 0.089 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.656 -1.202 -0.385 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -5.274 -2.369 0.063 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -6.348 -2.328 0.895 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -6.784 -1.124 1.282 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.264 0.050 0.920 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -4.791 -3.748 -0.355 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -3.462 -4.269 0.146 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -4.735 -4.873 0.655 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -5.228 2.331 0.224 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -4.640 1.168 -0.350 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 0.024 -0.450 -1.038 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.670 -0.218 -1.787 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.033 0.525 0.036 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.375 0.949 0.388 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.231 0.071 1.065 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.542 0.445 1.387 0.00 0.00 +0.028 A ATOM 27 C LIG 1 4.030 1.705 1.026 0.00 0.00 +0.066 A ATOM 28 C LIG 1 3.164 2.588 0.354 0.00 0.00 +0.028 A ATOM 29 C LIG 1 1.856 2.212 0.032 0.00 0.00 +0.007 A BRANCH 27 30 ATOM 30 N LIG 1 5.360 2.145 1.328 0.00 0.00 -0.236 N ATOM 31 C LIG 1 6.475 1.454 1.797 0.00 0.00 +0.042 A ATOM 32 C LIG 1 6.598 -0.012 1.991 0.00 0.00 +0.066 C ATOM 33 C LIG 1 7.460 2.400 2.003 0.00 0.00 +0.057 A ATOM 34 C LIG 1 6.917 3.631 1.585 0.00 0.00 +0.166 A ATOM 35 N LIG 1 5.661 3.464 1.145 0.00 0.00 -0.162 NA BRANCH 34 36 ATOM 36 C LIG 1 7.607 4.968 1.589 0.00 0.00 +0.436 C ATOM 37 F LIG 1 7.665 5.531 0.353 0.00 0.00 -0.164 F ATOM 38 F LIG 1 6.996 5.866 2.408 0.00 0.00 -0.164 F ATOM 39 F LIG 1 8.895 4.870 2.025 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 8