REMARK Name = BDB025269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.044 0.276 0.047 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.694 -0.870 0.431 0.00 0.00 +0.142 A ATOM 3 C LIG 1 -2.062 -0.631 0.379 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.900 -1.699 0.757 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.309 -2.900 1.150 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -0.928 -2.997 1.146 0.00 0.00 +0.113 A ATOM 7 C LIG 1 -2.243 0.718 -0.081 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -3.359 1.548 -0.352 0.00 0.00 +0.028 A ATOM 9 BR LIG 1 -5.145 0.957 -0.119 0.00 0.00 -0.050 Br ATOM 10 C LIG 1 -3.170 2.857 -0.814 0.00 0.00 +0.016 A ATOM 11 C LIG 1 -1.891 3.358 -1.012 0.00 0.00 +0.003 A ATOM 12 C LIG 1 -0.769 2.570 -0.755 0.00 0.00 +0.026 A ATOM 13 N LIG 1 -0.074 -2.014 0.790 0.00 0.00 -0.237 NA ATOM 14 C LIG 1 -0.960 1.256 -0.290 0.00 0.00 +0.053 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.198 -1.256 0.277 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.047 -0.848 0.155 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.224 -0.707 1.242 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.648 -0.920 2.135 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 2.072 0.043 1.305 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.685 0.480 2.388 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.412 0.394 -0.025 0.00 0.00 +0.176 C ATOM 22 C LIG 1 1.984 -0.425 -1.186 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.501 -0.365 -1.167 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1