REMARK Name = BDB032550 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.527 0.051 -0.360 0.00 0.00 -0.281 N ATOM 2 C LIG 1 -1.358 -1.242 -0.835 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -2.203 -2.020 -1.230 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 0.077 -1.537 -0.761 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.757 -2.665 -1.181 0.00 0.00 +0.017 A ATOM 6 C LIG 1 2.139 -2.692 -0.983 0.00 0.00 +0.050 A ATOM 7 C LIG 1 2.791 -1.605 -0.373 0.00 0.00 +0.162 A ATOM 8 O LIG 1 4.146 -1.732 -0.198 0.00 0.00 -0.485 OA ATOM 9 C LIG 1 4.647 -0.773 0.743 0.00 0.00 +0.276 C ATOM 10 C LIG 1 4.090 0.617 0.440 0.00 0.00 +0.236 C ATOM 11 O LIG 1 2.660 0.633 0.593 0.00 0.00 -0.479 OA ATOM 12 C LIG 1 2.078 -0.464 0.022 0.00 0.00 +0.168 A ATOM 13 C LIG 1 0.711 -0.448 -0.166 0.00 0.00 +0.027 A ATOM 14 C LIG 1 -0.290 0.594 0.188 0.00 0.00 +0.148 C ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 -6.866 0.789 0.783 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -5.678 0.690 0.489 0.00 0.00 +0.219 C ATOM 17 N LIG 1 -4.780 0.121 1.358 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -5.164 -0.233 2.223 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -3.410 0.065 1.241 0.00 0.00 +0.240 C ATOM 20 O LIG 1 -2.724 -0.338 2.180 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 -2.820 0.650 -0.051 0.00 0.00 +0.163 C ATOM 22 C LIG 1 -3.831 0.555 -1.194 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -5.115 1.263 -0.790 0.00 0.00 +0.098 C ENDBRANCH 1 21 BRANCH 10 24 ATOM 24 C LIG 1 4.677 1.669 1.381 0.00 0.00 +0.203 C BRANCH 24 25 ATOM 25 O LIG 1 6.081 1.810 1.205 0.00 0.00 -0.391 OA ATOM 26 H LIG 1 6.228 2.293 0.372 0.00 0.00 +0.210 HD ENDBRANCH 24 25 ENDBRANCH 10 24 TORSDOF 3