REMARK Name = BDB049835 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.599 -0.741 0.199 0.00 0.00 +0.095 C ATOM 2 C LIG 1 0.692 0.278 -0.500 0.00 0.00 +0.130 C ATOM 3 N LIG 1 -0.654 -0.249 -0.323 0.00 0.00 -0.293 N ATOM 4 C LIG 1 -1.750 0.464 -0.795 0.00 0.00 +0.282 C ATOM 5 O LIG 1 -1.599 1.548 -1.357 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -0.670 -1.317 0.669 0.00 0.00 +0.110 C ATOM 7 C LIG 1 0.704 -1.255 1.325 0.00 0.00 +0.043 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -3.058 -0.144 -0.608 0.00 0.00 +0.195 A ATOM 9 N LIG 1 -3.387 -1.437 -0.938 0.00 0.00 -0.334 N ATOM 10 H LIG 1 -2.758 -2.104 -1.361 0.00 0.00 +0.168 HD ATOM 11 C LIG 1 -4.707 -1.645 -0.633 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -5.151 -0.420 -0.139 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -6.497 -0.290 0.265 0.00 0.00 +0.067 A ATOM 14 C LIG 1 -7.342 -1.409 0.156 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -6.856 -2.611 -0.344 0.00 0.00 +0.126 A ATOM 16 F LIG 1 -7.684 -3.660 -0.438 0.00 0.00 -0.205 F ATOM 17 C LIG 1 -5.531 -2.765 -0.754 0.00 0.00 +0.066 A ATOM 18 N LIG 1 -4.117 0.495 -0.141 0.00 0.00 -0.223 NA BRANCH 13 19 ATOM 19 C LIG 1 -7.043 0.979 0.795 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -8.208 1.065 1.165 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 -6.203 2.052 0.854 0.00 0.00 -0.325 N ATOM 22 H LIG 1 -5.245 1.998 0.512 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 -6.561 2.940 1.175 0.00 0.00 +0.145 HD ENDBRANCH 13 19 ENDBRANCH 4 8 BRANCH 1 25 ATOM 24 C LIG 1 3.864 0.096 -0.179 0.00 0.00 +0.401 C ATOM 25 N LIG 1 2.844 -0.191 0.678 0.00 0.00 -0.277 N ATOM 26 H LIG 1 2.897 0.282 1.570 0.00 0.00 +0.152 HD ATOM 27 O LIG 1 3.885 -0.211 -1.359 0.00 0.00 -0.226 OA BRANCH 24 28 ATOM 28 O LIG 1 4.813 0.784 0.493 0.00 0.00 -0.445 OA BRANCH 28 30 ATOM 29 C LIG 1 6.842 0.054 -0.699 0.00 0.00 +0.055 C ATOM 30 C LIG 1 6.016 1.236 -0.181 0.00 0.00 +0.107 C ATOM 31 C LIG 1 5.687 2.237 -1.295 0.00 0.00 +0.055 C ATOM 32 C LIG 1 6.823 1.961 0.906 0.00 0.00 +0.055 C ENDBRANCH 28 30 ENDBRANCH 24 28 ENDBRANCH 1 25 TORSDOF 5