REMARK Name = BDB020235 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -3.490 1.836 -0.886 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -2.908 1.026 -0.171 0.00 0.00 +0.219 C ATOM 3 N LIG 1 -2.004 1.443 0.771 0.00 0.00 -0.254 N ATOM 4 H LIG 1 -1.883 2.444 0.849 0.00 0.00 +0.158 HD ATOM 5 C LIG 1 -1.328 0.687 1.697 0.00 0.00 +0.262 C ATOM 6 O LIG 1 -0.614 1.229 2.541 0.00 0.00 -0.272 OA ATOM 7 C LIG 1 -1.499 -0.831 1.630 0.00 0.00 +0.239 C ATOM 8 C LIG 1 -2.820 -1.218 0.966 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -3.101 -0.462 -0.323 0.00 0.00 +0.100 C ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.265 -1.460 0.965 0.00 0.00 +0.349 C ATOM 11 O LIG 1 0.551 -2.159 1.554 0.00 0.00 -0.247 OA BRANCH 10 12 ATOM 12 O LIG 1 -0.176 -1.097 -0.343 0.00 0.00 -0.458 OA BRANCH 12 13 ATOM 13 C LIG 1 1.019 -1.490 -1.031 0.00 0.00 +0.267 C BRANCH 13 14 ATOM 14 C LIG 1 1.928 -0.293 -1.106 0.00 0.00 -0.010 A ATOM 15 C LIG 1 1.771 0.659 -2.122 0.00 0.00 +0.007 A ATOM 16 C LIG 1 2.593 1.786 -2.168 0.00 0.00 +0.000 A ATOM 17 C LIG 1 3.571 1.976 -1.194 0.00 0.00 +0.000 A ATOM 18 C LIG 1 3.728 1.042 -0.172 0.00 0.00 +0.000 A ATOM 19 C LIG 1 2.908 -0.087 -0.125 0.00 0.00 +0.007 A ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 7 10 BRANCH 7 20 ATOM 20 O LIG 1 -1.591 -1.317 2.983 0.00 0.00 -0.370 OA ATOM 21 H LIG 1 -0.742 -1.086 3.413 0.00 0.00 +0.211 HD ENDBRANCH 7 20 TORSDOF 5