REMARK Name = BDB035663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.457 -0.119 -0.638 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.558 -1.512 -0.400 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.424 -2.338 -0.251 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.176 -1.730 -0.324 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.188 -2.328 -0.212 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.076 -1.182 -0.354 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.354 -0.003 -0.562 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.725 1.142 -0.744 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.069 -0.364 -0.541 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.173 0.455 -0.705 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.490 -1.307 -0.268 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.329 -0.184 -0.262 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.732 -0.296 -0.167 0.00 0.00 -0.035 A ATOM 14 C LIG 1 5.295 -1.576 -0.093 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.480 -2.704 -0.098 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.091 -2.570 -0.177 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.585 0.968 -0.148 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 6.800 0.854 -1.027 0.00 0.00 +0.141 A ATOM 19 N LIG 1 6.795 0.983 -2.394 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.673 1.258 -3.251 0.00 0.00 +0.151 C ATOM 21 C LIG 1 8.079 0.782 -2.799 0.00 0.00 +0.224 A ATOM 22 N LIG 1 8.837 0.545 -1.754 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 8.034 0.589 -0.639 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 5.976 1.405 1.267 0.00 0.00 +0.055 C ATOM 25 C LIG 1 4.929 1.454 2.391 0.00 0.00 +0.166 C ATOM 26 O LIG 1 5.889 0.920 3.340 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 6.745 0.497 2.243 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 -2.550 -3.820 -0.016 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -3.831 -4.276 -0.055 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -2.050 -4.194 1.193 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.863 -4.545 -0.940 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 -4.677 0.787 -0.831 0.00 0.00 +0.084 C BRANCH 32 34 ATOM 33 C LIG 1 -5.938 -0.568 -2.615 0.00 0.00 +0.006 C ATOM 34 C LIG 1 -6.004 0.113 -1.250 0.00 0.00 +0.020 C ENDBRANCH 32 34 BRANCH 32 35 ATOM 35 N LIG 1 -4.825 1.774 0.259 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 -3.930 2.241 0.404 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -5.478 1.361 1.510 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.022 1.500 1.389 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.002 2.302 2.705 0.00 0.00 +0.004 C ATOM 40 C LIG 1 -5.534 2.654 2.393 0.00 0.00 +0.022 C ATOM 41 C LIG 1 -4.887 0.168 2.235 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 32 35 ENDBRANCH 1 32 TORSDOF 9