REMARK Name = BDB036866 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.089 1.873 -0.488 0.00 0.00 +0.133 C ATOM 2 N LIG 1 1.100 0.619 0.263 0.00 0.00 -0.289 N ATOM 3 C LIG 1 -0.059 -0.054 0.665 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -0.016 -1.227 1.031 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 2.389 -0.059 0.485 0.00 0.00 +0.163 C ATOM 6 C LIG 1 3.544 0.874 0.891 0.00 0.00 +0.240 C ATOM 7 O LIG 1 3.389 1.979 1.407 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 4.813 0.379 0.694 0.00 0.00 -0.255 N ATOM 9 H LIG 1 5.571 0.991 0.966 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 5.178 -0.745 -0.004 0.00 0.00 +0.219 C ATOM 11 O LIG 1 6.359 -0.996 -0.223 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 4.062 -1.663 -0.438 0.00 0.00 +0.098 C ATOM 13 C LIG 1 2.792 -0.884 -0.739 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 3 14 ATOM 14 C LIG 1 -1.310 0.687 0.651 0.00 0.00 +0.078 A ATOM 15 C LIG 1 -2.535 0.289 0.145 0.00 0.00 +0.054 A ATOM 16 N LIG 1 -3.393 1.337 0.338 0.00 0.00 -0.270 N ATOM 17 C LIG 1 -4.770 1.440 -0.082 0.00 0.00 +0.172 C ATOM 18 N LIG 1 -2.831 2.371 0.993 0.00 0.00 -0.179 NA ATOM 19 C LIG 1 -1.576 1.964 1.198 0.00 0.00 +0.147 A BRANCH 15 20 ATOM 20 C LIG 1 -2.851 -1.049 -0.579 0.00 0.00 +0.038 C ATOM 21 C LIG 1 -2.732 -2.343 0.182 0.00 0.00 +0.010 C ATOM 22 C LIG 1 -4.085 -1.830 -0.202 0.00 0.00 +0.010 C ENDBRANCH 15 20 ENDBRANCH 3 14 TORSDOF 3