REMARK Name = BDB059663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.413 0.420 -0.310 0.00 0.00 +0.057 A ATOM 2 C LIG 1 -1.315 -0.492 0.131 0.00 0.00 +0.045 A ATOM 3 C LIG 1 -2.752 -0.038 0.262 0.00 0.00 +0.279 A ATOM 4 O LIG 1 -3.673 -0.749 0.641 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 -2.982 1.304 -0.094 0.00 0.00 -0.179 N ATOM 6 C LIG 1 -2.010 2.180 -0.536 0.00 0.00 +0.156 A ATOM 7 C LIG 1 -2.638 3.378 -0.772 0.00 0.00 +0.114 A ATOM 8 C LIG 1 -3.987 3.144 -0.450 0.00 0.00 +0.156 A ATOM 9 N LIG 1 -4.211 1.892 -0.039 0.00 0.00 -0.169 NA ATOM 10 N LIG 1 -0.742 1.724 -0.640 0.00 0.00 -0.338 N ATOM 11 H LIG 1 0.031 2.318 -0.946 0.00 0.00 +0.167 HD ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 3.235 -0.052 0.374 0.00 0.00 +0.215 A ATOM 13 N LIG 1 3.718 -0.532 -0.791 0.00 0.00 -0.221 NA ATOM 14 C LIG 1 2.834 -0.698 -1.797 0.00 0.00 +0.115 A ATOM 15 C LIG 1 1.486 -0.405 -1.692 0.00 0.00 +0.030 A ATOM 16 C LIG 1 1.012 0.087 -0.476 0.00 0.00 +0.005 A ATOM 17 C LIG 1 1.905 0.271 0.580 0.00 0.00 +0.077 A BRANCH 12 19 ATOM 18 C LIG 1 5.431 -0.213 1.165 0.00 0.00 +0.279 C ATOM 19 O LIG 1 4.082 0.145 1.446 0.00 0.00 -0.480 OA ENDBRANCH 12 19 ENDBRANCH 1 16 BRANCH 2 20 ATOM 20 C LIG 1 -1.005 -1.935 0.508 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -1.718 -2.942 -0.399 0.00 0.00 +0.012 C ATOM 22 C LIG 1 -1.277 -2.224 1.987 0.00 0.00 +0.012 C ENDBRANCH 2 20 BRANCH 7 23 ATOM 23 C LIG 1 -2.049 4.583 -1.240 0.00 0.00 +0.104 C ATOM 24 N LIG 1 -1.555 5.560 -1.624 0.00 0.00 -0.191 NA ENDBRANCH 7 23 TORSDOF 4