REMARK Name = LIG000744 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.544 2.358 -0.538 0.00 0.00 +0.264 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.318 1.499 -0.748 0.00 0.00 -0.010 A ATOM 3 C LIG 1 -0.759 1.991 -1.500 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.912 1.223 -1.681 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.019 -0.048 -1.101 0.00 0.00 -0.033 A ATOM 6 C LIG 1 -0.950 -0.533 -0.337 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.203 0.234 -0.156 0.00 0.00 +0.007 A BRANCH 5 8 ATOM 8 C LIG 1 -3.264 -0.888 -1.301 0.00 0.00 +0.119 C BRANCH 8 9 ATOM 9 N LIG 1 -3.950 -1.221 -0.043 0.00 0.00 -0.295 NA ATOM 10 C LIG 1 -5.029 -2.207 -0.257 0.00 0.00 +0.103 C ATOM 11 C LIG 1 -6.448 -1.623 -0.459 0.00 0.00 +0.120 C ATOM 12 N LIG 1 -6.832 -0.737 0.654 0.00 0.00 -0.325 N ATOM 13 C LIG 1 -5.730 -0.234 1.493 0.00 0.00 +0.120 C ATOM 14 C LIG 1 -4.468 -0.004 0.629 0.00 0.00 +0.103 C BRANCH 12 15 ATOM 15 C LIG 1 -8.154 -0.676 1.085 0.00 0.00 +0.065 A ATOM 16 C LIG 1 -8.535 -0.388 2.413 0.00 0.00 +0.144 A ATOM 17 F LIG 1 -7.610 -0.191 3.367 0.00 0.00 -0.204 F ATOM 18 C LIG 1 -9.872 -0.321 2.814 0.00 0.00 +0.040 A ATOM 19 C LIG 1 -10.888 -0.536 1.890 0.00 0.00 +0.003 A ATOM 20 C LIG 1 -10.556 -0.814 0.570 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -9.211 -0.879 0.178 0.00 0.00 +0.026 A ENDBRANCH 12 15 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 22 ATOM 22 O LIG 1 2.748 1.599 -0.376 0.00 0.00 -0.487 OA BRANCH 22 28 ATOM 23 N LIG 1 6.694 -0.079 -0.441 0.00 0.00 -0.281 N ATOM 24 C LIG 1 6.778 -0.159 -1.823 0.00 0.00 +0.248 C ATOM 25 O LIG 1 7.717 -0.539 -2.495 0.00 0.00 -0.270 OA ATOM 26 C LIG 1 5.494 0.310 -2.354 0.00 0.00 +0.045 A ATOM 27 C LIG 1 4.705 0.725 -1.282 0.00 0.00 +0.024 A ATOM 28 C LIG 1 3.433 1.227 -1.494 0.00 0.00 +0.126 A ATOM 29 C LIG 1 2.970 1.280 -2.815 0.00 0.00 +0.046 A ATOM 30 C LIG 1 3.780 0.858 -3.890 0.00 0.00 +0.004 A ATOM 31 C LIG 1 5.066 0.367 -3.664 0.00 0.00 +0.013 A ATOM 32 C LIG 1 5.454 0.554 -0.004 0.00 0.00 +0.148 C BRANCH 23 39 ATOM 33 O LIG 1 10.137 0.389 3.800 0.00 0.00 -0.275 OA ATOM 34 C LIG 1 9.522 0.159 2.762 0.00 0.00 +0.219 C ATOM 35 N LIG 1 9.449 1.094 1.761 0.00 0.00 -0.255 N ATOM 36 H LIG 1 9.860 1.990 1.988 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.513 1.127 0.753 0.00 0.00 +0.240 C ATOM 38 O LIG 1 8.244 2.188 0.194 0.00 0.00 -0.273 OA ATOM 39 C LIG 1 7.864 -0.226 0.415 0.00 0.00 +0.163 C ATOM 40 C LIG 1 7.549 -0.964 1.713 0.00 0.00 +0.041 C ATOM 41 C LIG 1 8.831 -1.160 2.507 0.00 0.00 +0.098 C ENDBRANCH 23 39 ENDBRANCH 22 28 ENDBRANCH 1 22 TORSDOF 7