REMARK Name = BDB061800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.295 0.131 -0.084 0.00 0.00 +0.076 A ATOM 2 C LIG 1 2.155 -0.968 -0.318 0.00 0.00 +0.142 A ATOM 3 C LIG 1 3.537 -0.773 -0.435 0.00 0.00 +0.059 A ATOM 4 C LIG 1 4.099 0.507 -0.319 0.00 0.00 +0.021 A ATOM 5 C LIG 1 3.245 1.592 -0.097 0.00 0.00 +0.013 A ATOM 6 C LIG 1 1.862 1.403 0.020 0.00 0.00 +0.028 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 5.552 0.664 -0.443 0.00 0.00 +0.139 A ATOM 8 N LIG 1 6.252 1.775 -0.030 0.00 0.00 -0.338 N ATOM 9 H LIG 1 5.852 2.591 0.407 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 7.587 1.583 -0.281 0.00 0.00 +0.067 A ATOM 11 C LIG 1 7.655 0.317 -0.852 0.00 0.00 +0.102 A ATOM 12 C LIG 1 8.911 -0.192 -1.236 0.00 0.00 +0.064 A ATOM 13 C LIG 1 10.051 0.605 -1.020 0.00 0.00 +0.015 A ATOM 14 C LIG 1 9.945 1.872 -0.440 0.00 0.00 +0.003 A ATOM 15 C LIG 1 8.705 2.391 -0.056 0.00 0.00 +0.028 A ATOM 16 N LIG 1 6.388 -0.234 -0.936 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 9.066 -1.528 -1.856 0.00 0.00 +0.244 C ATOM 18 O LIG 1 10.166 -1.963 -2.178 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 7.934 -2.261 -2.061 0.00 0.00 -0.325 N ATOM 20 H LIG 1 7.019 -1.892 -1.814 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 8.008 -3.166 -2.502 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -0.082 -0.115 0.025 0.00 0.00 -0.281 N ATOM 23 H LIG 1 -0.337 -1.091 -0.067 0.00 0.00 +0.155 HD BRANCH 22 30 ATOM 24 C LIG 1 -5.894 0.705 0.135 0.00 0.00 +0.161 C ATOM 25 N LIG 1 -4.723 -0.061 0.631 0.00 0.00 -0.299 N ATOM 26 C LIG 1 -3.514 0.662 0.521 0.00 0.00 +0.149 A ATOM 27 C LIG 1 -3.518 2.047 0.698 0.00 0.00 +0.095 A ATOM 28 C LIG 1 -2.276 2.647 0.656 0.00 0.00 +0.141 A ATOM 29 N LIG 1 -1.122 1.988 0.438 0.00 0.00 -0.221 NA ATOM 30 C LIG 1 -1.204 0.665 0.260 0.00 0.00 +0.221 A ATOM 31 N LIG 1 -4.729 2.762 0.916 0.00 0.00 -0.269 N ATOM 32 C LIG 1 -4.699 4.151 1.337 0.00 0.00 +0.138 C ATOM 33 N LIG 1 -2.365 -0.007 0.296 0.00 0.00 -0.197 NA ATOM 34 C LIG 1 -5.952 2.114 0.763 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -7.033 2.651 1.019 0.00 0.00 -0.273 OA BRANCH 25 36 ATOM 36 C LIG 1 -4.643 -1.514 0.397 0.00 0.00 +0.076 C ATOM 37 C LIG 1 -6.002 -2.224 0.459 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -5.631 -3.673 0.718 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -4.549 -3.564 1.776 0.00 0.00 +0.002 C ATOM 40 C LIG 1 -3.833 -2.242 1.493 0.00 0.00 +0.022 C ENDBRANCH 25 36 BRANCH 24 42 ATOM 41 C LIG 1 -7.241 1.239 -1.964 0.00 0.00 +0.006 C ATOM 42 C LIG 1 -5.894 0.799 -1.405 0.00 0.00 +0.028 C ENDBRANCH 24 42 ENDBRANCH 22 30 ENDBRANCH 1 22 BRANCH 2 43 ATOM 43 O LIG 1 1.523 -2.189 -0.413 0.00 0.00 -0.493 OA ATOM 44 C LIG 1 2.343 -3.326 -0.652 0.00 0.00 +0.277 C ENDBRANCH 2 43 TORSDOF 7