REMARK Name = BDB034295 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.180 -1.929 0.248 0.00 0.00 -0.343 N ATOM 2 H LIG 1 2.236 -1.513 1.172 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.908 -1.199 -0.709 0.00 0.00 +0.038 A ATOM 4 C LIG 1 4.037 -0.415 -0.321 0.00 0.00 +0.021 A ATOM 5 C LIG 1 4.739 0.280 -1.335 0.00 0.00 +0.073 A ATOM 6 C LIG 1 5.824 1.076 -0.994 0.00 0.00 +0.040 A ATOM 7 C LIG 1 6.267 1.218 0.329 0.00 0.00 +0.057 A ATOM 8 C LIG 1 5.601 0.514 1.332 0.00 0.00 +0.013 A ATOM 9 N LIG 1 4.418 0.208 -2.631 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 3.392 -0.590 -2.978 0.00 0.00 +0.113 A ATOM 11 C LIG 1 4.504 -0.288 1.012 0.00 0.00 +0.012 A ATOM 12 C LIG 1 2.633 -1.308 -2.074 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 7.466 2.074 0.641 0.00 0.00 +0.417 C ATOM 14 F LIG 1 7.545 3.188 -0.138 0.00 0.00 -0.166 F ATOM 15 F LIG 1 8.640 1.407 0.464 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.483 2.522 1.928 0.00 0.00 -0.166 F ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 17 ATOM 17 C LIG 1 0.848 -2.469 -0.026 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 -0.220 -1.380 -0.174 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -0.487 -0.643 1.147 0.00 0.00 +0.086 C BRANCH 19 20 ATOM 20 N LIG 1 -1.472 0.438 1.118 0.00 0.00 -0.302 NA BRANCH 20 21 ATOM 21 C LIG 1 -1.346 1.438 0.060 0.00 0.00 +0.084 C BRANCH 21 23 ATOM 22 C LIG 1 0.067 3.260 -0.966 0.00 0.00 +0.005 C ATOM 23 C LIG 1 0.000 2.175 0.099 0.00 0.00 +0.012 C ENDBRANCH 21 23 ENDBRANCH 20 21 BRANCH 20 24 ATOM 24 C LIG 1 -2.839 0.075 1.497 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -3.626 -0.944 0.637 0.00 0.00 +0.003 C ATOM 26 C LIG 1 -4.953 -1.323 1.341 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -6.137 -0.513 0.827 0.00 0.00 +0.000 C ATOM 28 C LIG 1 -6.374 -0.745 -0.665 0.00 0.00 +0.000 C ATOM 29 C LIG 1 -5.098 -1.094 -1.431 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.871 -0.446 -0.801 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 10