REMARK Name = BDB035629 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.977 -1.111 0.748 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.200 -0.193 0.034 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.477 0.882 -0.463 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.157 -0.749 -0.045 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.275 -0.211 -0.655 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.470 -0.939 -0.593 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.497 -2.179 0.092 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.349 -2.713 0.708 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.176 -1.967 0.622 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.183 -2.257 1.171 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.512 0.250 0.911 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.133 0.092 0.613 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.360 -0.991 1.061 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.000 -1.964 1.837 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.352 -1.849 2.157 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.090 -0.758 1.703 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.335 1.526 0.355 0.00 0.00 +0.055 C ATOM 18 C LIG 1 6.709 1.913 1.013 0.00 0.00 +0.019 C ATOM 19 C LIG 1 5.926 2.826 1.975 0.00 0.00 +0.003 C ATOM 20 C LIG 1 4.843 2.928 0.885 0.00 0.00 +0.019 C BRANCH 17 23 ATOM 21 C LIG 1 6.578 -0.769 -1.533 0.00 0.00 +0.151 C ATOM 22 N LIG 1 5.996 0.465 -1.982 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.454 1.466 -1.224 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.045 2.428 -2.027 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 5.319 2.050 -3.321 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 5.884 0.867 -3.276 0.00 0.00 +0.224 A ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -2.380 -4.026 1.440 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -2.082 -3.885 2.761 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -3.580 -4.663 1.388 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -1.464 -4.908 0.951 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 -4.734 -0.396 -1.225 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.662 0.057 -0.187 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.153 0.678 0.443 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.883 0.654 -0.754 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.578 2.077 -1.304 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.810 2.577 -0.520 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.633 1.361 0.415 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.734 -0.291 -1.583 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7