REMARK Name = BDB027986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.967 -2.205 1.484 0.00 0.00 +0.106 C ATOM 2 N LIG 1 -0.936 -0.966 0.710 0.00 0.00 -0.286 NA ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -2.168 -0.167 0.842 0.00 0.00 +0.144 C ATOM 4 C LIG 1 -1.879 1.290 0.417 0.00 0.00 +0.236 C ATOM 5 O LIG 1 -0.750 1.781 0.380 0.00 0.00 -0.274 OA ATOM 6 N LIG 1 -2.978 2.051 0.091 0.00 0.00 -0.255 N ATOM 7 H LIG 1 -2.788 3.004 -0.189 0.00 0.00 +0.158 HD ATOM 8 C LIG 1 -4.273 1.631 -0.070 0.00 0.00 +0.219 C ATOM 9 O LIG 1 -5.143 2.400 -0.469 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.575 0.204 0.320 0.00 0.00 +0.098 C ATOM 11 C LIG 1 -3.379 -0.703 0.073 0.00 0.00 +0.037 C ENDBRANCH 2 3 BRANCH 2 12 ATOM 12 C LIG 1 -0.501 -1.216 -0.681 0.00 0.00 +0.181 C BRANCH 12 13 ATOM 13 C LIG 1 1.032 -1.234 -0.750 0.00 0.00 +0.231 C ATOM 14 N LIG 1 1.580 -0.093 -0.187 0.00 0.00 -0.284 N ATOM 15 H LIG 1 0.902 0.541 0.240 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 1.631 -2.159 -1.291 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.935 0.269 -0.092 0.00 0.00 +0.033 A ATOM 18 C LIG 1 3.984 -0.501 -0.596 0.00 0.00 +0.023 A ATOM 19 C LIG 1 5.307 -0.067 -0.460 0.00 0.00 +0.002 A ATOM 20 C LIG 1 5.589 1.138 0.179 0.00 0.00 +0.000 A ATOM 21 C LIG 1 4.548 1.913 0.683 0.00 0.00 +0.002 A ATOM 22 C LIG 1 3.227 1.480 0.548 0.00 0.00 +0.023 A ENDBRANCH 14 17 ENDBRANCH 12 13 ENDBRANCH 2 12 TORSDOF 4