REMARK Name = BDB016746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.887 0.406 -0.564 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.706 -0.868 0.007 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.403 -1.354 0.168 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.273 -0.648 -0.222 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.828 -1.496 0.113 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.407 -2.644 0.667 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.447 0.621 -0.805 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.929 -2.521 0.697 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.469 -3.280 1.096 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.748 1.122 -0.969 0.00 0.00 +0.005 A ENDROOT BRANCH 1 16 ATOM 11 C LIG 1 9.928 0.482 -1.623 0.00 0.00 +0.044 C ATOM 12 C LIG 1 8.912 0.458 -0.517 0.00 0.00 -0.050 A ATOM 13 C LIG 1 7.593 0.878 -0.764 0.00 0.00 +0.010 A ATOM 14 C LIG 1 6.677 0.878 0.278 0.00 0.00 -0.010 A ATOM 15 C LIG 1 5.222 1.245 0.365 0.00 0.00 +0.081 C ATOM 16 C LIG 1 4.278 0.957 -0.784 0.00 0.00 +0.040 C ATOM 17 C LIG 1 4.881 1.045 1.825 0.00 0.00 +0.228 C ATOM 18 N LIG 1 6.024 0.566 2.445 0.00 0.00 -0.284 N ATOM 19 H LIG 1 6.062 0.373 3.433 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 3.812 1.290 2.356 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 4.620 2.384 -0.406 0.00 0.00 +0.031 C ATOM 22 C LIG 1 7.095 0.473 1.554 0.00 0.00 +0.038 A ATOM 23 C LIG 1 8.381 0.069 1.839 0.00 0.00 +0.024 A ATOM 24 C LIG 1 9.297 0.069 0.785 0.00 0.00 +0.005 A ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -2.207 -1.172 -0.116 0.00 0.00 +0.031 C ATOM 26 C LIG 1 -3.243 -1.969 0.201 0.00 0.00 +0.010 C BRANCH 26 27 ATOM 27 C LIG 1 -4.651 -1.619 -0.028 0.00 0.00 -0.025 A ATOM 28 C LIG 1 -5.085 -1.001 -1.206 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -6.439 -0.707 -1.399 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -7.388 -1.032 -0.420 0.00 0.00 -0.033 A ATOM 31 C LIG 1 -6.953 -1.670 0.749 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.599 -1.964 0.940 0.00 0.00 +0.008 A BRANCH 30 33 ATOM 33 C LIG 1 -8.854 -0.714 -0.629 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -9.329 0.595 -0.156 0.00 0.00 -0.304 NA ATOM 35 C LIG 1 -9.229 0.757 1.290 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -8.715 1.719 -0.855 0.00 0.00 +0.104 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 5 25 TORSDOF 5