REMARK Name = BDB028884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.522 -0.416 -2.054 0.00 0.00 -0.322 N ATOM 2 C LIG 1 1.936 -1.607 -1.524 0.00 0.00 +0.149 A ATOM 3 C LIG 1 3.069 -1.372 -0.775 0.00 0.00 +0.091 A ATOM 4 C LIG 1 3.686 -2.497 -0.102 0.00 0.00 +0.263 A ATOM 5 N LIG 1 3.014 -3.705 -0.327 0.00 0.00 -0.302 N ATOM 6 C LIG 1 1.873 -3.780 -1.114 0.00 0.00 +0.204 A ATOM 7 C LIG 1 3.544 -4.894 0.304 0.00 0.00 +0.153 C ATOM 8 O LIG 1 4.698 -2.400 0.587 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 3.355 0.020 -0.845 0.00 0.00 +0.014 A ATOM 10 N LIG 1 1.297 -2.784 -1.721 0.00 0.00 -0.219 NA ATOM 11 C LIG 1 2.374 0.581 -1.648 0.00 0.00 +0.097 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 4.425 0.804 -0.251 0.00 0.00 -0.013 A ATOM 13 C LIG 1 4.140 2.003 0.420 0.00 0.00 +0.025 A ATOM 14 C LIG 1 5.161 2.777 1.001 0.00 0.00 +0.080 A ATOM 15 C LIG 1 6.486 2.332 0.902 0.00 0.00 +0.147 A ATOM 16 C LIG 1 6.770 1.135 0.229 0.00 0.00 +0.084 A ATOM 17 CL LIG 1 8.402 0.582 0.094 0.00 0.00 -0.080 Cl ATOM 18 C LIG 1 5.751 0.377 -0.345 0.00 0.00 +0.032 A BRANCH 14 19 ATOM 19 C LIG 1 4.741 4.035 1.688 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.569 4.394 1.713 0.00 0.00 -0.270 OA ATOM 21 N LIG 1 5.703 4.787 2.293 0.00 0.00 -0.325 N ATOM 22 H LIG 1 6.679 4.511 2.263 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 5.436 5.646 2.751 0.00 0.00 +0.145 HD ENDBRANCH 14 19 BRANCH 15 24 ATOM 24 O LIG 1 7.519 3.054 1.455 0.00 0.00 -0.505 OA ATOM 25 H LIG 1 8.342 2.556 1.279 0.00 0.00 +0.292 HD ENDBRANCH 15 24 ENDBRANCH 9 12 BRANCH 1 26 ATOM 26 C LIG 1 0.382 -0.246 -2.935 0.00 0.00 +0.219 C BRANCH 26 29 ATOM 27 N LIG 1 -1.358 -1.274 -1.583 0.00 0.00 -0.283 N ATOM 28 H LIG 1 -0.713 -2.068 -1.616 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -0.915 -0.097 -2.166 0.00 0.00 +0.237 C ATOM 30 O LIG 1 -1.490 0.989 -2.123 0.00 0.00 -0.274 OA BRANCH 27 36 ATOM 31 C LIG 1 -4.687 -0.742 0.076 0.00 0.00 +0.123 A ATOM 32 N LIG 1 -4.888 -1.960 0.626 0.00 0.00 -0.239 NA ATOM 33 C LIG 1 -3.944 -2.914 0.458 0.00 0.00 +0.134 A ATOM 34 C LIG 1 -2.774 -2.729 -0.255 0.00 0.00 +0.080 A ATOM 35 CL LIG 1 -1.661 -4.037 -0.394 0.00 0.00 -0.080 Cl ATOM 36 C LIG 1 -2.551 -1.483 -0.841 0.00 0.00 +0.057 A ATOM 37 C LIG 1 -3.531 -0.498 -0.676 0.00 0.00 +0.068 A BRANCH 31 40 ATOM 38 C LIG 1 -5.330 2.533 -0.635 0.00 0.00 +0.030 C ATOM 39 C LIG 1 -5.183 1.613 0.578 0.00 0.00 +0.097 C ATOM 40 N LIG 1 -5.674 0.248 0.230 0.00 0.00 -0.308 N ATOM 41 C LIG 1 -6.836 -0.176 1.037 0.00 0.00 +0.135 C ATOM 42 C LIG 1 -6.555 0.027 2.536 0.00 0.00 +0.179 C ATOM 43 O LIG 1 -6.066 1.335 2.885 0.00 0.00 -0.376 OA ATOM 44 C LIG 1 -5.981 2.219 1.763 0.00 0.00 +0.182 C ENDBRANCH 31 40 ENDBRANCH 27 36 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 7