REMARK Name = BDB059000 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.368 -0.844 0.050 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.114 -2.148 -0.110 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.304 -2.388 -0.809 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -1.996 -1.298 -1.363 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.513 0.014 -1.235 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.320 0.228 -0.529 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.823 -3.753 -0.960 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -2.743 -4.313 -0.041 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -3.233 -3.540 1.155 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -3.211 -5.622 -0.246 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -2.771 -6.360 -1.339 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.229 -7.606 -1.519 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.867 -5.827 -2.244 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.394 -4.528 -2.055 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.718 0.547 1.519 0.00 0.00 -0.307 N ATOM 16 H LIG 1 0.962 1.217 1.498 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.623 -0.637 0.821 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.494 -1.500 0.818 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 2.936 0.943 2.184 0.00 0.00 +0.140 C BRANCH 19 25 ATOM 20 C LIG 1 5.360 2.088 -0.530 0.00 0.00 +0.155 A ATOM 21 C LIG 1 5.221 3.475 -0.425 0.00 0.00 +0.165 A ATOM 22 F LIG 1 5.916 4.287 -1.238 0.00 0.00 -0.202 F ATOM 23 C LIG 1 4.362 4.051 0.507 0.00 0.00 +0.042 A ATOM 24 C LIG 1 3.623 3.235 1.363 0.00 0.00 +0.008 A ATOM 25 C LIG 1 3.754 1.841 1.290 0.00 0.00 -0.027 A ATOM 26 C LIG 1 4.620 1.276 0.333 0.00 0.00 +0.053 A BRANCH 20 28 ATOM 27 C LIG 1 6.327 0.239 -1.674 0.00 0.00 +0.277 C ATOM 28 O LIG 1 6.229 1.646 -1.490 0.00 0.00 -0.492 OA ENDBRANCH 20 28 ENDBRANCH 19 25 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 -2.280 1.182 -1.817 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -2.928 1.944 -0.769 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -2.377 3.043 -0.098 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -1.299 3.701 -0.336 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -0.846 3.337 -1.172 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -3.279 3.300 0.938 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -3.170 4.438 1.815 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -4.340 2.412 0.875 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.121 1.578 -0.149 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 7