REMARK Name = BDB011071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.552 -1.342 0.498 0.00 0.00 +0.145 A ATOM 2 N LIG 1 -0.727 -0.371 -0.071 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -1.309 0.861 0.175 0.00 0.00 +0.114 A ATOM 4 C LIG 1 -2.260 0.588 1.141 0.00 0.00 +0.183 A ATOM 5 N LIG 1 -3.002 1.513 1.768 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.727 2.756 1.353 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.861 3.131 0.391 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 -1.145 2.178 -0.247 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -2.391 -0.747 1.335 0.00 0.00 -0.210 NA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.541 -2.860 0.235 0.00 0.00 +0.133 C ATOM 11 C LIG 1 -1.693 -3.296 -1.258 0.00 0.00 +0.051 C ATOM 12 C LIG 1 -2.491 -2.349 -2.167 0.00 0.00 +0.013 C ATOM 13 C LIG 1 -0.385 -3.681 -1.970 0.00 0.00 +0.166 C ATOM 14 O LIG 1 0.666 -4.134 -1.129 0.00 0.00 -0.379 OA ATOM 15 C LIG 1 0.223 -4.660 0.114 0.00 0.00 +0.163 C ATOM 16 C LIG 1 -0.325 -3.510 0.934 0.00 0.00 +0.071 C BRANCH 10 18 ATOM 17 C LIG 1 -3.978 -3.197 0.618 0.00 0.00 +0.195 C ATOM 18 O LIG 1 -2.638 -3.441 1.012 0.00 0.00 -0.368 OA ENDBRANCH 10 18 ENDBRANCH 1 10 BRANCH 6 19 ATOM 19 C LIG 1 -3.489 3.829 2.030 0.00 0.00 +0.220 A ATOM 20 N LIG 1 -4.375 3.505 2.986 0.00 0.00 -0.269 N ATOM 21 H LIG 1 -4.603 2.582 3.319 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -4.912 4.650 3.424 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -5.761 4.758 4.294 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -4.346 5.690 2.728 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -3.409 5.103 1.816 0.00 0.00 -0.051 NA ENDBRANCH 6 19 BRANCH 8 26 ATOM 26 C LIG 1 -0.303 2.632 -1.344 0.00 0.00 +0.022 A ATOM 27 C LIG 1 0.687 3.607 -1.152 0.00 0.00 +0.033 A ATOM 28 C LIG 1 1.486 4.007 -2.219 0.00 0.00 +0.060 A ATOM 29 CL LIG 1 2.725 5.171 -1.992 0.00 0.00 -0.082 Cl ATOM 30 C LIG 1 1.267 3.432 -3.460 0.00 0.00 +0.130 A ATOM 31 N LIG 1 0.309 2.504 -3.698 0.00 0.00 -0.261 NA ATOM 32 C LIG 1 -0.462 2.149 -2.643 0.00 0.00 +0.120 A ENDBRANCH 8 26 BRANCH 2 33 ATOM 33 C LIG 1 0.544 -0.578 -0.748 0.00 0.00 +0.127 C BRANCH 33 34 ATOM 34 C LIG 1 1.756 0.126 -0.099 0.00 0.00 +0.009 C ATOM 35 C LIG 1 2.941 0.138 -1.078 0.00 0.00 +0.005 C ATOM 36 C LIG 1 4.161 0.831 -0.476 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.572 0.198 0.860 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.755 0.948 1.470 0.00 0.00 +0.007 C ATOM 39 C LIG 1 3.389 0.165 1.836 0.00 0.00 +0.003 C ATOM 40 C LIG 1 2.174 -0.532 1.225 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 6