REMARK Name = LIG000768 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.994 0.221 -0.161 0.00 0.00 +0.116 A ATOM 2 N LIG 1 -0.661 -0.969 -0.754 0.00 0.00 -0.129 NA ATOM 3 N LIG 1 0.659 -1.093 -0.722 0.00 0.00 -0.064 NA ATOM 4 N LIG 1 1.151 -0.002 -0.108 0.00 0.00 -0.239 N ATOM 5 C LIG 1 0.155 0.855 0.259 0.00 0.00 +0.139 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 2.575 0.131 0.142 0.00 0.00 +0.195 C ATOM 7 C LIG 1 3.292 0.614 -1.108 0.00 0.00 +0.244 C ATOM 8 O LIG 1 2.842 1.481 -1.855 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 4.557 0.116 -1.323 0.00 0.00 -0.255 N ATOM 10 H LIG 1 5.034 0.476 -2.140 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 5.358 -0.530 -0.415 0.00 0.00 +0.219 C ATOM 12 O LIG 1 6.561 -0.665 -0.612 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 4.697 -0.964 0.871 0.00 0.00 +0.099 C ATOM 14 C LIG 1 3.202 -1.160 0.677 0.00 0.00 +0.045 C ENDBRANCH 4 6 BRANCH 1 16 ATOM 15 C LIG 1 -3.399 -0.099 0.406 0.00 0.00 +0.129 A ATOM 16 C LIG 1 -2.345 0.724 -0.021 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -2.626 2.065 -0.331 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -3.922 2.572 -0.204 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.954 1.748 0.242 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.692 0.415 0.555 0.00 0.00 +0.046 A BRANCH 15 22 ATOM 21 C LIG 1 -3.608 -2.298 -0.233 0.00 0.00 +0.277 C ATOM 22 O LIG 1 -3.167 -1.398 0.785 0.00 0.00 -0.494 OA ENDBRANCH 15 22 ENDBRANCH 1 16 TORSDOF 3