REMARK Name = BDB026019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.842 0.653 0.525 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.185 1.846 0.863 0.00 0.00 +0.133 A ATOM 3 F LIG 1 0.893 2.929 1.221 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.205 1.957 0.848 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.996 0.862 0.495 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.355 -0.354 0.155 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.041 -0.448 0.166 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.414 0.918 0.432 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -4.070 1.440 1.662 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.925 2.730 1.461 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -6.384 2.395 1.112 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.270 3.663 0.532 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -4.893 4.975 0.438 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.004 3.073 -0.789 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.871 1.531 -0.837 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 5.099 0.242 0.611 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.316 -0.694 1.186 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.969 -0.530 1.136 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.311 0.545 0.543 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.139 1.512 -0.028 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.529 1.363 0.010 0.00 0.00 +0.044 A BRANCH 16 27 ATOM 22 C LIG 1 9.296 -0.241 -1.931 0.00 0.00 +0.039 C ATOM 23 C LIG 1 8.646 -0.052 -0.568 0.00 0.00 +0.132 C ATOM 24 O LIG 1 9.053 -1.156 0.264 0.00 0.00 -0.374 OA ATOM 25 C LIG 1 8.481 -1.027 1.577 0.00 0.00 +0.179 C ATOM 26 C LIG 1 6.946 -1.001 1.522 0.00 0.00 +0.134 C ATOM 27 N LIG 1 6.501 0.112 0.653 0.00 0.00 -0.311 N ATOM 28 C LIG 1 7.106 0.017 -0.695 0.00 0.00 +0.137 C ENDBRANCH 16 27 ENDBRANCH 1 19 BRANCH 6 29 ATOM 29 N LIG 1 -2.217 -1.424 -0.169 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.196 -1.149 -0.104 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.886 -2.720 -0.469 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.769 -3.217 -0.513 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -3.084 -3.577 -0.701 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.969 -3.447 -1.853 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -5.017 -4.287 -1.974 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.275 -5.330 -0.950 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -6.234 -6.084 -1.043 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -4.376 -5.383 0.085 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -4.538 -6.109 0.775 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -3.301 -4.538 0.211 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.668 -2.408 -2.887 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -4.446 -2.541 -3.994 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.903 -1.158 -2.412 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.384 -2.445 -3.312 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 6 29 TORSDOF 6