REMARK Name = BDB025335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.084 -0.236 -0.333 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.590 1.040 -0.260 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -1.973 0.952 -0.174 0.00 0.00 +0.029 A ATOM 4 C LIG 1 -2.696 2.155 -0.101 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.976 3.349 -0.120 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.592 3.295 -0.204 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -2.307 -0.434 -0.176 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -3.520 -1.145 -0.102 0.00 0.00 +0.133 A ATOM 9 F LIG 1 -4.686 -0.489 -0.009 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -3.528 -2.538 -0.119 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -2.332 -3.241 -0.210 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -1.106 -2.569 -0.285 0.00 0.00 +0.026 A ATOM 13 N LIG 1 0.152 2.168 -0.270 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -1.111 -1.162 -0.268 0.00 0.00 +0.055 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.303 0.670 -0.496 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.113 0.381 -0.415 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.234 0.707 -1.415 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.645 1.155 -2.223 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 1.988 0.160 -1.620 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.498 0.158 -2.749 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.343 -0.537 -0.426 0.00 0.00 +0.176 C ATOM 22 C LIG 1 2.069 -0.223 0.886 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.562 -0.448 0.720 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1