REMARK Name = LIG000913 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.938 1.077 -4.114 0.00 0.00 -0.339 N ATOM 2 H LIG 1 -2.425 1.561 -3.348 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.054 -0.313 -3.924 0.00 0.00 +0.040 A ATOM 4 C LIG 1 -2.438 -0.870 -2.712 0.00 0.00 +0.070 A ATOM 5 C LIG 1 -2.830 -0.224 -1.462 0.00 0.00 +0.256 C ATOM 6 N LIG 1 -2.988 -1.215 -0.533 0.00 0.00 -0.222 N ATOM 7 C LIG 1 -2.736 -2.448 -1.076 0.00 0.00 +0.255 C ATOM 8 O LIG 1 -2.746 -3.537 -0.538 0.00 0.00 -0.270 OA ATOM 9 O LIG 1 -2.969 0.979 -1.335 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -2.407 -2.232 -2.481 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.036 -3.135 -3.453 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -1.686 -2.614 -4.702 0.00 0.00 +0.003 A ATOM 13 C LIG 1 -1.684 -1.220 -4.929 0.00 0.00 +0.024 A BRANCH 6 14 ATOM 14 C LIG 1 -3.079 -0.992 0.905 0.00 0.00 +0.171 C ATOM 15 C LIG 1 -1.672 -0.621 1.395 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -0.650 -1.097 0.896 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -1.604 0.225 2.481 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -0.667 0.506 2.765 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -2.638 0.652 3.275 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -2.436 1.260 4.323 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -4.035 0.248 2.835 0.00 0.00 +0.098 C ATOM 22 C LIG 1 -4.095 0.069 1.323 0.00 0.00 +0.041 C ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 -0.551 1.571 -4.178 0.00 0.00 +0.137 C BRANCH 23 27 ATOM 24 C LIG 1 1.182 1.282 -0.226 0.00 0.00 +0.037 A ATOM 25 C LIG 1 0.358 2.362 -0.553 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -0.163 2.478 -1.844 0.00 0.00 +0.006 A ATOM 27 C LIG 1 0.121 1.511 -2.821 0.00 0.00 -0.030 A ATOM 28 C LIG 1 0.955 0.434 -2.486 0.00 0.00 +0.006 A ATOM 29 C LIG 1 1.481 0.317 -1.197 0.00 0.00 +0.013 A BRANCH 24 32 ATOM 30 N LIG 1 2.952 0.678 1.302 0.00 0.00 -0.280 N ATOM 31 H LIG 1 3.480 0.450 0.464 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 1.666 1.155 1.178 0.00 0.00 +0.248 C ATOM 33 O LIG 1 0.916 1.488 2.093 0.00 0.00 -0.270 OA BRANCH 30 35 ATOM 34 C LIG 1 5.002 -0.054 2.299 0.00 0.00 +0.049 A ATOM 35 C LIG 1 3.688 0.443 2.481 0.00 0.00 +0.055 A ATOM 36 C LIG 1 3.195 0.647 3.769 0.00 0.00 +0.028 A ATOM 37 C LIG 1 4.012 0.398 4.877 0.00 0.00 +0.040 A ATOM 38 C LIG 1 5.317 -0.045 4.686 0.00 0.00 +0.125 A ATOM 39 F LIG 1 6.106 -0.255 5.751 0.00 0.00 -0.205 F ATOM 40 C LIG 1 5.825 -0.257 3.409 0.00 0.00 +0.063 A BRANCH 34 41 ATOM 41 N LIG 1 5.550 -0.125 0.987 0.00 0.00 -0.356 N ATOM 42 H LIG 1 6.324 -0.789 0.961 0.00 0.00 +0.142 HD ATOM 43 H LIG 1 5.908 0.791 0.723 0.00 0.00 +0.142 HD ENDBRANCH 34 41 ENDBRANCH 30 35 ENDBRANCH 24 32 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 7