REMARK Name = BDB017270 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.318 -1.722 0.048 0.00 0.00 +0.168 C ATOM 2 O LIG 1 0.059 -2.814 0.554 0.00 0.00 -0.292 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.693 -1.157 0.227 0.00 0.00 +0.018 A ATOM 4 C LIG 1 1.999 0.189 -0.010 0.00 0.00 +0.020 A ATOM 5 C LIG 1 3.307 0.674 0.174 0.00 0.00 -0.017 A ATOM 6 C LIG 1 4.324 -0.208 0.608 0.00 0.00 -0.017 A ATOM 7 C LIG 1 5.629 0.278 0.792 0.00 0.00 +0.027 A ATOM 8 C LIG 1 5.931 1.623 0.550 0.00 0.00 +0.052 A ATOM 9 C LIG 1 4.927 2.493 0.123 0.00 0.00 +0.019 A ATOM 10 C LIG 1 4.007 -1.552 0.850 0.00 0.00 +0.009 A ATOM 11 C LIG 1 3.625 2.022 -0.063 0.00 0.00 +0.010 A ATOM 12 C LIG 1 2.704 -2.020 0.664 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 7.268 2.104 0.742 0.00 0.00 +0.099 C ATOM 14 N LIG 1 8.350 2.495 0.897 0.00 0.00 -0.191 NA ENDBRANCH 8 13 ENDBRANCH 1 3 BRANCH 1 17 ATOM 15 N LIG 1 -2.618 0.626 -0.401 0.00 0.00 -0.302 NA ATOM 16 C LIG 1 -1.578 -0.152 0.282 0.00 0.00 +0.096 C ATOM 17 C LIG 1 -0.729 -0.934 -0.733 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -1.625 -1.863 -1.586 0.00 0.00 -0.001 C ATOM 19 C LIG 1 -0.831 -2.556 -2.696 0.00 0.00 +0.008 C ATOM 20 C LIG 1 -2.778 -1.052 -2.196 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -3.536 -0.253 -1.134 0.00 0.00 +0.084 C BRANCH 15 22 ATOM 22 C LIG 1 -3.319 1.558 0.495 0.00 0.00 +0.084 C BRANCH 22 24 ATOM 23 C LIG 1 -4.785 2.020 2.493 0.00 0.00 +0.005 C ATOM 24 C LIG 1 -4.114 0.941 1.653 0.00 0.00 +0.012 C ENDBRANCH 22 24 ENDBRANCH 15 22 ENDBRANCH 1 17 TORSDOF 5