REMARK Name = BDB002252 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.587 -0.052 0.140 0.00 0.00 +0.133 A ATOM 2 C LIG 1 0.708 -0.527 -0.079 0.00 0.00 +0.176 A ATOM 3 O LIG 1 0.647 -1.897 0.048 0.00 0.00 -0.354 OA ATOM 4 N LIG 1 -0.621 -2.317 0.351 0.00 0.00 -0.077 NA ATOM 5 C LIG 1 -1.377 -1.216 0.389 0.00 0.00 +0.129 A ENDROOT BRANCH 5 6 ATOM 6 C LIG 1 -2.805 -1.321 0.666 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.784 -0.988 -0.282 0.00 0.00 +0.050 A ATOM 8 CL LIG 1 -3.388 -0.456 -1.881 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 -5.142 -1.103 0.040 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -5.530 -1.555 1.301 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.564 -1.899 2.244 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.209 -1.786 1.929 0.00 0.00 +0.011 A ENDBRANCH 5 6 BRANCH 1 13 ATOM 13 C LIG 1 -1.060 1.317 0.145 0.00 0.00 +0.345 C ATOM 14 O LIG 1 -2.096 1.665 0.699 0.00 0.00 -0.245 OA BRANCH 13 16 ATOM 15 C LIG 1 -0.730 3.523 -0.582 0.00 0.00 +0.280 C ATOM 16 O LIG 1 -0.252 2.178 -0.539 0.00 0.00 -0.464 OA ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 2 17 ATOM 17 C LIG 1 1.930 0.158 -0.351 0.00 0.00 +0.065 C ATOM 18 C LIG 1 3.062 -0.511 -0.613 0.00 0.00 +0.073 C BRANCH 18 19 ATOM 19 N LIG 1 4.330 -0.013 -0.896 0.00 0.00 -0.342 N ATOM 20 C LIG 1 5.481 -0.918 -0.958 0.00 0.00 +0.128 C ATOM 21 C LIG 1 4.672 1.401 -0.733 0.00 0.00 +0.128 C ENDBRANCH 18 19 ENDBRANCH 2 17 TORSDOF 5