REMARK Name = BDB046760 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.024 -1.383 -0.917 0.00 0.00 +0.141 A ATOM 2 C LIG 1 -0.500 -0.386 -0.065 0.00 0.00 +0.076 A ATOM 3 C LIG 1 -1.306 0.171 0.935 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.629 -0.257 1.095 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -3.140 -1.246 0.246 0.00 0.00 +0.015 A ATOM 6 C LIG 1 -2.343 -1.808 -0.756 0.00 0.00 +0.048 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 0.845 -0.004 -0.286 0.00 0.00 -0.279 N ATOM 8 H LIG 1 1.278 -0.510 -1.053 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.585 0.932 0.395 0.00 0.00 +0.241 C ATOM 10 O LIG 1 1.216 1.623 1.335 0.00 0.00 -0.270 OA BRANCH 9 11 ATOM 11 C LIG 1 2.967 1.045 -0.141 0.00 0.00 +0.074 C ATOM 12 C LIG 1 3.819 1.917 0.416 0.00 0.00 +0.096 C BRANCH 12 13 ATOM 13 C LIG 1 5.197 2.096 -0.046 0.00 0.00 +0.330 C ATOM 14 O LIG 1 5.994 2.878 0.438 0.00 0.00 -0.246 OA BRANCH 13 15 ATOM 15 O LIG 1 5.528 1.305 -1.079 0.00 0.00 -0.478 OA ATOM 16 H LIG 1 6.462 1.545 -1.260 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 9 11 ENDBRANCH 2 7 BRANCH 4 17 ATOM 17 C LIG 1 -3.526 0.307 2.148 0.00 0.00 +0.160 C ATOM 18 O LIG 1 -4.681 -0.104 2.246 0.00 0.00 -0.292 OA ATOM 19 C LIG 1 -2.996 1.372 3.072 0.00 0.00 +0.091 C ENDBRANCH 4 17 BRANCH 1 21 ATOM 20 C LIG 1 -0.642 -2.871 -2.744 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -0.151 -1.864 -1.866 0.00 0.00 -0.493 OA ENDBRANCH 1 21 TORSDOF 6