REMARK Name = BDB061709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.856 0.828 -0.385 0.00 0.00 +0.125 A ATOM 2 N LIG 1 2.326 -0.042 0.530 0.00 0.00 -0.239 NA ATOM 3 C LIG 1 1.487 -0.999 0.982 0.00 0.00 +0.123 A ATOM 4 C LIG 1 0.172 -1.147 0.554 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.304 -0.247 -0.404 0.00 0.00 +0.076 A ATOM 6 N LIG 1 -1.563 -0.313 -0.879 0.00 0.00 -0.249 NA ATOM 7 C LIG 1 -2.397 -1.286 -0.409 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -1.991 -2.215 0.545 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.691 -2.144 1.031 0.00 0.00 +0.013 A ATOM 10 C LIG 1 0.553 0.736 -0.868 0.00 0.00 +0.072 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 2.682 1.848 -0.911 0.00 0.00 -0.297 N ATOM 12 H LIG 1 2.182 2.735 -0.934 0.00 0.00 +0.154 HD BRANCH 11 18 ATOM 13 C LIG 1 6.336 1.260 -0.304 0.00 0.00 +0.140 A ATOM 14 C LIG 1 6.827 2.569 -0.411 0.00 0.00 +0.096 A ATOM 15 C LIG 1 5.942 3.621 -0.660 0.00 0.00 +0.062 A ATOM 16 C LIG 1 4.584 3.354 -0.803 0.00 0.00 +0.146 A ATOM 17 F LIG 1 3.747 4.376 -1.045 0.00 0.00 -0.204 F ATOM 18 C LIG 1 4.064 2.055 -0.698 0.00 0.00 +0.072 A ATOM 19 C LIG 1 4.968 1.009 -0.481 0.00 0.00 +0.073 A BRANCH 14 20 ATOM 20 C LIG 1 8.224 2.854 -0.261 0.00 0.00 +0.103 C ATOM 21 N LIG 1 9.346 3.128 -0.138 0.00 0.00 -0.191 NA ENDBRANCH 14 20 BRANCH 13 22 ATOM 22 O LIG 1 7.244 0.253 -0.107 0.00 0.00 -0.488 OA BRANCH 22 24 ATOM 23 C LIG 1 8.001 -0.829 1.877 0.00 0.00 +0.051 C ATOM 24 C LIG 1 6.874 -0.749 0.853 0.00 0.00 +0.167 C ATOM 25 C LIG 1 6.716 -2.081 0.128 0.00 0.00 +0.051 C ENDBRANCH 22 24 ENDBRANCH 13 22 ENDBRANCH 11 18 ENDBRANCH 1 11 BRANCH 7 26 ATOM 26 C LIG 1 -3.820 -1.289 -0.992 0.00 0.00 +0.108 C ATOM 27 C LIG 1 -4.050 -2.619 -1.726 0.00 0.00 +0.048 C BRANCH 26 28 ATOM 28 C LIG 1 -4.902 -1.006 0.097 0.00 0.00 +0.029 C ATOM 29 C LIG 1 -4.569 0.253 0.938 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -5.811 0.790 1.647 0.00 0.00 +0.084 C ATOM 31 N LIG 1 -6.815 1.279 0.696 0.00 0.00 -0.305 NA ATOM 32 C LIG 1 -8.140 1.319 1.308 0.00 0.00 +0.104 C ATOM 33 C LIG 1 -6.812 0.561 -0.585 0.00 0.00 +0.084 C ATOM 34 C LIG 1 -6.340 -0.889 -0.468 0.00 0.00 +0.022 C ENDBRANCH 26 28 BRANCH 26 35 ATOM 35 O LIG 1 -3.915 -0.260 -1.994 0.00 0.00 -0.382 OA ATOM 36 H LIG 1 -3.041 0.183 -1.986 0.00 0.00 +0.211 HD ENDBRANCH 26 35 ENDBRANCH 7 26 TORSDOF 8