REMARK Name = BDB007959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.578 -1.860 -0.317 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.181 -1.764 -0.240 0.00 0.00 +0.230 C ATOM 3 O LIG 1 0.543 -2.183 -1.143 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 -2.212 -2.433 -1.529 0.00 0.00 +0.073 C ATOM 5 C LIG 1 -1.960 -3.941 -1.634 0.00 0.00 +0.028 C BRANCH 4 7 ATOM 6 C LIG 1 -2.133 -0.231 -2.838 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -1.845 -1.725 -2.850 0.00 0.00 +0.019 C ENDBRANCH 4 7 ENDBRANCH 1 4 BRANCH 2 8 ATOM 8 C LIG 1 0.415 -1.101 1.025 0.00 0.00 +0.180 C BRANCH 8 9 ATOM 9 N LIG 1 1.708 -0.440 0.761 0.00 0.00 -0.294 NA ATOM 10 C LIG 1 1.603 0.647 -0.225 0.00 0.00 +0.085 C ATOM 11 C LIG 1 2.450 1.881 0.107 0.00 0.00 +0.027 C ATOM 12 C LIG 1 3.860 1.517 0.591 0.00 0.00 +0.063 C ATOM 13 C LIG 1 3.808 0.413 1.663 0.00 0.00 +0.027 C ATOM 14 C LIG 1 2.387 -0.052 1.989 0.00 0.00 +0.085 C BRANCH 12 15 ATOM 15 C LIG 1 4.767 1.142 -0.589 0.00 0.00 +0.166 C ATOM 16 O LIG 1 4.370 1.149 -1.753 0.00 0.00 -0.292 OA BRANCH 15 17 ATOM 17 C LIG 1 6.202 0.801 -0.342 0.00 0.00 +0.018 A ATOM 18 C LIG 1 6.878 0.044 -1.313 0.00 0.00 +0.014 A ATOM 19 C LIG 1 8.221 -0.297 -1.135 0.00 0.00 +0.039 A ATOM 20 C LIG 1 8.885 0.124 0.010 0.00 0.00 +0.123 A ATOM 21 F LIG 1 10.174 -0.199 0.183 0.00 0.00 -0.205 F ATOM 22 C LIG 1 8.234 0.882 0.978 0.00 0.00 +0.039 A ATOM 23 C LIG 1 6.890 1.226 0.803 0.00 0.00 +0.014 A ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 2 8 BRANCH 1 24 ATOM 24 C LIG 1 -2.453 -1.746 0.859 0.00 0.00 +0.182 C BRANCH 24 25 ATOM 25 C LIG 1 -3.414 -0.570 0.738 0.00 0.00 +0.127 A ATOM 26 N LIG 1 -2.856 0.643 0.440 0.00 0.00 -0.309 N ATOM 27 H LIG 1 -1.880 0.719 0.196 0.00 0.00 +0.170 HD ATOM 28 C LIG 1 -3.599 1.776 0.293 0.00 0.00 +0.257 A ATOM 29 O LIG 1 -3.099 2.851 -0.012 0.00 0.00 -0.267 OA ATOM 30 C LIG 1 -5.041 1.610 0.532 0.00 0.00 +0.064 A ATOM 31 C LIG 1 -5.925 2.806 0.397 0.00 0.00 +0.202 C ATOM 32 O LIG 1 -7.317 2.450 0.355 0.00 0.00 -0.375 OA ATOM 33 C LIG 1 -7.657 1.506 1.373 0.00 0.00 +0.166 C ATOM 34 C LIG 1 -6.952 0.175 1.109 0.00 0.00 +0.084 C ATOM 35 C LIG 1 -5.482 0.381 0.845 0.00 0.00 +0.056 A ATOM 36 N LIG 1 -4.681 -0.731 0.956 0.00 0.00 -0.237 NA ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8