REMARK Name = BDB047477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.473 -1.071 1.125 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -7.833 0.061 0.377 0.00 0.00 +0.165 A ATOM 3 C LIG 1 -6.879 0.667 -0.443 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -5.567 0.172 -0.520 0.00 0.00 +0.139 A ATOM 5 O LIG 1 -4.769 0.875 -1.392 0.00 0.00 -0.436 OA ATOM 6 C LIG 1 -3.488 1.167 -0.979 0.00 0.00 +0.247 A ATOM 7 C LIG 1 -2.565 0.145 -0.810 0.00 0.00 +0.131 A ATOM 8 N LIG 1 -2.935 -1.216 -0.889 0.00 0.00 -0.333 N ATOM 9 H LIG 1 -2.109 -1.807 -0.958 0.00 0.00 +0.147 HD ATOM 10 C LIG 1 -3.826 -1.608 0.195 0.00 0.00 +0.141 C ATOM 11 C LIG 1 -1.267 0.573 -0.508 0.00 0.00 +0.151 A ATOM 12 N LIG 1 -0.939 1.876 -0.435 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -1.921 2.764 -0.649 0.00 0.00 +0.227 A ATOM 14 N LIG 1 -3.196 2.479 -0.918 0.00 0.00 -0.199 NA ATOM 15 C LIG 1 -5.195 -0.970 0.198 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -6.167 -1.570 1.031 0.00 0.00 +0.058 A ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -8.156 -2.795 2.637 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -8.457 -1.611 1.914 0.00 0.00 -0.491 OA ENDBRANCH 1 18 BRANCH 2 19 ATOM 19 O LIG 1 -9.129 0.492 0.514 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -9.522 1.641 -0.224 0.00 0.00 +0.277 C ENDBRANCH 2 19 BRANCH 11 21 ATOM 21 N LIG 1 -0.282 -0.422 -0.246 0.00 0.00 -0.295 N ATOM 22 H LIG 1 -0.639 -1.035 0.479 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 1.108 -0.236 -0.150 0.00 0.00 +0.069 A ATOM 24 C LIG 1 1.918 -1.154 0.497 0.00 0.00 +0.139 A ATOM 25 N LIG 1 3.267 -1.088 0.572 0.00 0.00 -0.221 NA ATOM 26 C LIG 1 3.848 -0.060 -0.066 0.00 0.00 +0.222 A ATOM 27 N LIG 1 3.178 0.867 -0.751 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 1.830 0.751 -0.790 0.00 0.00 +0.139 A BRANCH 26 29 ATOM 29 N LIG 1 5.228 -0.035 0.054 0.00 0.00 -0.250 N ATOM 30 H LIG 1 5.582 -0.812 0.587 0.00 0.00 +0.158 HD ATOM 31 C LIG 1 6.079 0.859 -0.544 0.00 0.00 +0.250 C ATOM 32 O LIG 1 5.786 1.755 -1.325 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 7.520 0.660 -0.212 0.00 0.00 +0.037 A ATOM 34 C LIG 1 7.936 0.222 1.052 0.00 0.00 +0.013 A ATOM 35 C LIG 1 9.298 0.049 1.318 0.00 0.00 +0.004 A ATOM 36 C LIG 1 10.255 0.307 0.329 0.00 0.00 -0.050 A ATOM 37 C LIG 1 11.718 0.156 0.629 0.00 0.00 +0.044 C ATOM 38 C LIG 1 9.836 0.775 -0.922 0.00 0.00 +0.004 A ATOM 39 C LIG 1 8.476 0.950 -1.192 0.00 0.00 +0.013 A ENDBRANCH 31 33 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 11 21 TORSDOF 6