REMARK Name = LIG001239 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.846 -3.237 0.156 0.00 0.00 +0.144 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 -5.331 0.848 0.614 0.00 0.00 -0.282 N ATOM 3 C LIG 1 -4.510 0.863 1.734 0.00 0.00 +0.248 C ATOM 4 O LIG 1 -4.608 1.566 2.721 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -3.469 -0.145 1.509 0.00 0.00 +0.042 A ATOM 6 C LIG 1 -3.735 -0.783 0.299 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -2.902 -1.790 -0.159 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -1.789 -2.150 0.623 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -1.542 -1.485 1.849 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.388 -0.472 2.304 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -4.979 -0.224 -0.308 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 -10.478 2.211 -0.662 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 -9.337 2.091 -0.226 0.00 0.00 +0.219 C ATOM 14 N LIG 1 -9.037 1.151 0.727 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -9.803 0.531 0.958 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.787 0.626 0.963 0.00 0.00 +0.240 C ATOM 17 O LIG 1 -7.668 -0.505 1.428 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 -6.611 1.545 0.589 0.00 0.00 +0.163 C ATOM 19 C LIG 1 -6.897 2.187 -0.766 0.00 0.00 +0.041 C ATOM 20 C LIG 1 -8.199 2.971 -0.688 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 0.421 -2.715 -0.315 0.00 0.00 -0.279 N ATOM 22 C LIG 1 1.556 -2.599 0.498 0.00 0.00 +0.309 C ATOM 23 O LIG 1 1.631 -3.058 1.627 0.00 0.00 -0.252 OA ATOM 24 N LIG 1 2.527 -1.879 -0.235 0.00 0.00 -0.254 N ATOM 25 C LIG 1 2.029 -1.595 -1.565 0.00 0.00 +0.134 C ATOM 26 C LIG 1 0.542 -1.895 -1.491 0.00 0.00 +0.129 C BRANCH 24 27 ATOM 27 C LIG 1 3.848 -1.560 0.179 0.00 0.00 +0.041 A ATOM 28 C LIG 1 4.748 -0.954 -0.713 0.00 0.00 +0.069 A ATOM 29 C LIG 1 6.046 -0.618 -0.313 0.00 0.00 +0.130 A ATOM 30 C LIG 1 6.488 -0.915 0.974 0.00 0.00 +0.046 A ATOM 31 C LIG 1 5.611 -1.514 1.871 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.304 -1.827 1.477 0.00 0.00 +0.024 A BRANCH 29 33 ATOM 33 O LIG 1 6.866 -0.059 -1.268 0.00 0.00 -0.456 OA BRANCH 33 34 ATOM 34 C LIG 1 7.596 1.050 -0.904 0.00 0.00 +0.128 A ATOM 35 C LIG 1 8.929 1.091 -1.316 0.00 0.00 +0.046 A ATOM 36 C LIG 1 9.718 2.200 -1.011 0.00 0.00 +0.004 A ATOM 37 C LIG 1 9.170 3.273 -0.308 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.831 3.242 0.084 0.00 0.00 +0.004 A ATOM 39 C LIG 1 7.039 2.134 -0.220 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 29 33 ENDBRANCH 24 27 ENDBRANCH 1 21 TORSDOF 6