REMARK Name = BDB034456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.552 0.737 -0.368 0.00 0.00 -0.343 N ATOM 2 H LIG 1 1.443 0.328 0.557 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 6.236 -0.968 1.105 0.00 0.00 +0.057 A ATOM 4 C LIG 1 6.386 0.074 0.176 0.00 0.00 +0.040 A ATOM 5 C LIG 1 5.301 0.730 -0.388 0.00 0.00 +0.073 A ATOM 6 C LIG 1 3.992 0.343 -0.018 0.00 0.00 +0.021 A ATOM 7 C LIG 1 2.915 1.050 -0.616 0.00 0.00 +0.038 A ATOM 8 C LIG 1 3.191 2.047 -1.551 0.00 0.00 +0.043 A ATOM 9 C LIG 1 4.508 2.341 -1.835 0.00 0.00 +0.113 A ATOM 10 C LIG 1 3.839 -0.719 0.907 0.00 0.00 +0.012 A ATOM 11 N LIG 1 5.555 1.705 -1.273 0.00 0.00 -0.255 NA ATOM 12 C LIG 1 4.946 -1.366 1.458 0.00 0.00 +0.013 A BRANCH 3 14 ATOM 13 F LIG 1 8.507 -0.829 1.855 0.00 0.00 -0.166 F ATOM 14 C LIG 1 7.448 -1.664 1.669 0.00 0.00 +0.417 C ATOM 15 F LIG 1 7.215 -2.243 2.880 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.893 -2.662 0.858 0.00 0.00 -0.166 F ENDBRANCH 3 14 ENDBRANCH 1 7 BRANCH 1 17 ATOM 17 C LIG 1 0.990 -0.141 -1.401 0.00 0.00 +0.103 C BRANCH 17 18 ATOM 18 C LIG 1 -0.505 -0.351 -1.152 0.00 0.00 +0.034 C BRANCH 18 19 ATOM 19 C LIG 1 -1.311 0.928 -1.400 0.00 0.00 +0.083 C BRANCH 19 20 ATOM 20 N LIG 1 -2.757 0.729 -1.280 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 -3.036 -0.133 -1.748 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 -3.205 0.676 0.113 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 C LIG 1 -4.697 0.493 0.196 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -5.274 -0.576 0.861 0.00 0.00 +0.171 A ATOM 25 O LIG 1 -4.610 -1.582 1.498 0.00 0.00 -0.452 OA ATOM 26 C LIG 1 -5.710 -2.376 1.988 0.00 0.00 +0.466 C ATOM 27 O LIG 1 -7.002 -1.843 1.640 0.00 0.00 -0.453 OA ATOM 28 C LIG 1 -6.642 -0.730 0.946 0.00 0.00 +0.167 A ATOM 29 C LIG 1 -7.516 0.170 0.377 0.00 0.00 +0.049 A ATOM 30 C LIG 1 -6.972 1.263 -0.299 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -5.577 1.424 -0.387 0.00 0.00 +0.009 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 8