REMARK Name = BDB018651 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -7.118 0.193 -0.363 0.00 0.00 -0.268 N ATOM 2 C LIG 1 -5.653 0.295 -0.077 0.00 0.00 +0.132 C ATOM 3 C LIG 1 -5.196 -1.109 0.361 0.00 0.00 +0.069 C ATOM 4 C LIG 1 -4.495 -1.795 -0.812 0.00 0.00 +0.225 C ATOM 5 O LIG 1 -5.062 -2.568 -1.581 0.00 0.00 -0.275 OA ATOM 6 N LIG 1 -3.190 -1.435 -1.036 0.00 0.00 -0.285 N ATOM 7 H LIG 1 -2.775 -1.785 -1.892 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 -2.405 -0.731 -0.119 0.00 0.00 +0.037 A ATOM 9 C LIG 1 -2.898 -0.492 1.166 0.00 0.00 -0.025 A ATOM 10 C LIG 1 -2.098 0.186 2.088 0.00 0.00 +0.006 A ATOM 11 C LIG 1 -0.825 0.629 1.717 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -0.318 0.391 0.428 0.00 0.00 -0.016 A ATOM 13 C LIG 1 -1.127 -0.305 -0.485 0.00 0.00 +0.032 A ATOM 14 C LIG 1 -4.237 -1.057 1.557 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -6.505 -1.811 0.733 0.00 0.00 +0.037 C ATOM 16 C LIG 1 -7.524 -1.227 -0.233 0.00 0.00 +0.117 C ENDROOT BRANCH 12 17 ATOM 17 C LIG 1 1.026 0.853 0.047 0.00 0.00 -0.018 A ATOM 18 C LIG 1 2.156 0.495 0.799 0.00 0.00 +0.012 A ATOM 19 C LIG 1 3.439 0.929 0.439 0.00 0.00 +0.046 A ATOM 20 C LIG 1 3.616 1.738 -0.681 0.00 0.00 +0.121 A ATOM 21 C LIG 1 2.502 2.092 -1.444 0.00 0.00 +0.046 A ATOM 22 C LIG 1 1.222 1.659 -1.084 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 O LIG 1 4.806 2.219 -1.150 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 5.945 2.168 -0.285 0.00 0.00 +0.264 C BRANCH 24 25 ATOM 25 C LIG 1 6.708 0.864 -0.364 0.00 0.00 -0.010 A ATOM 26 C LIG 1 6.740 0.106 -1.544 0.00 0.00 +0.007 A ATOM 27 C LIG 1 7.473 -1.080 -1.605 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.191 -1.516 -0.494 0.00 0.00 +0.000 A ATOM 29 C LIG 1 8.181 -0.764 0.679 0.00 0.00 +0.000 A ATOM 30 C LIG 1 7.448 0.422 0.743 0.00 0.00 +0.007 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 12 17 BRANCH 1 32 ATOM 31 N LIG 1 -8.381 1.884 -1.696 0.00 0.00 -0.174 NA ATOM 32 C LIG 1 -7.798 1.098 -1.078 0.00 0.00 +0.169 C ENDBRANCH 1 32 TORSDOF 5