REMARK Name = LIG000765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -5.737 -0.467 0.471 0.00 0.00 -0.281 N ATOM 2 C LIG 1 -5.668 -1.826 0.192 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -6.479 -2.691 0.460 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -4.399 -2.058 -0.503 0.00 0.00 +0.045 A ATOM 5 C LIG 1 -3.699 -0.854 -0.542 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -2.455 -0.777 -1.143 0.00 0.00 +0.126 A ATOM 7 C LIG 1 -1.932 -1.951 -1.699 0.00 0.00 +0.046 A ATOM 8 C LIG 1 -2.651 -3.165 -1.651 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -3.905 -3.227 -1.045 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.478 0.208 0.159 0.00 0.00 +0.148 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -8.392 3.173 -0.937 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.020 2.258 -0.208 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.233 2.509 0.887 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -6.999 3.480 1.043 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.532 1.597 1.641 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.664 1.982 2.424 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.773 0.112 1.330 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -8.182 -0.045 0.748 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.337 0.812 -0.499 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 6 20 ATOM 20 O LIG 1 -1.857 0.448 -1.111 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -0.637 0.635 -1.837 0.00 0.00 +0.264 C BRANCH 21 22 ATOM 22 C LIG 1 0.588 0.183 -1.075 0.00 0.00 -0.010 A ATOM 23 C LIG 1 1.701 -0.308 -1.770 0.00 0.00 +0.007 A ATOM 24 C LIG 1 2.850 -0.704 -1.082 0.00 0.00 +0.005 A ATOM 25 C LIG 1 2.919 -0.601 0.314 0.00 0.00 -0.033 A ATOM 26 C LIG 1 1.812 -0.099 1.008 0.00 0.00 +0.005 A ATOM 27 C LIG 1 0.662 0.297 0.320 0.00 0.00 +0.007 A BRANCH 25 28 ATOM 28 C LIG 1 4.160 -1.046 1.059 0.00 0.00 +0.119 C BRANCH 28 29 ATOM 29 N LIG 1 5.396 -0.389 0.590 0.00 0.00 -0.298 NA ATOM 30 C LIG 1 5.406 1.040 0.935 0.00 0.00 +0.085 C ATOM 31 C LIG 1 6.661 1.722 0.389 0.00 0.00 +0.027 C ATOM 32 C LIG 1 7.933 1.036 0.896 0.00 0.00 +0.096 C ATOM 33 C LIG 1 7.864 -0.467 0.608 0.00 0.00 +0.027 C ATOM 34 C LIG 1 6.570 -1.075 1.147 0.00 0.00 +0.085 C BRANCH 32 35 ATOM 35 C LIG 1 9.171 1.654 0.276 0.00 0.00 +0.393 C ATOM 36 F LIG 1 9.248 2.972 0.565 0.00 0.00 -0.170 F ATOM 37 F LIG 1 9.184 1.526 -1.067 0.00 0.00 -0.170 F ATOM 38 F LIG 1 10.292 1.071 0.756 0.00 0.00 -0.170 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 7