REMARK Name = LIG000524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.579 -2.195 0.330 0.00 0.00 +0.220 C ATOM 2 C LIG 1 -1.357 -1.077 1.051 0.00 0.00 +0.271 C ATOM 3 O LIG 1 -0.976 -0.414 2.002 0.00 0.00 -0.270 OA ATOM 4 N LIG 1 -2.518 -0.899 0.349 0.00 0.00 -0.233 N ATOM 5 C LIG 1 -2.491 -1.648 -0.853 0.00 0.00 +0.269 C ATOM 6 C LIG 1 -3.889 -2.251 -1.074 0.00 0.00 +0.156 C ATOM 7 N LIG 1 -4.952 -1.253 -0.958 0.00 0.00 -0.290 N ATOM 8 C LIG 1 -4.875 -0.119 -0.174 0.00 0.00 +0.237 C ATOM 9 O LIG 1 -5.826 0.660 -0.098 0.00 0.00 -0.274 OA ATOM 10 C LIG 1 -6.054 -1.531 -1.857 0.00 0.00 +0.108 C ATOM 11 C LIG 1 -5.696 -2.874 -2.487 0.00 0.00 +0.021 C ATOM 12 C LIG 1 -4.167 -2.896 -2.430 0.00 0.00 +0.031 C ATOM 13 C LIG 1 -3.521 0.151 0.561 0.00 0.00 +0.171 C ATOM 14 O LIG 1 -1.506 -2.645 -0.677 0.00 0.00 -0.298 OA ENDROOT BRANCH 1 15 ATOM 15 N LIG 1 0.561 -1.581 -0.327 0.00 0.00 -0.279 N ATOM 16 H LIG 1 0.911 -0.729 0.100 0.00 0.00 +0.152 HD ATOM 17 C LIG 1 1.370 -2.229 -1.229 0.00 0.00 +0.224 C ATOM 18 O LIG 1 1.147 -3.363 -1.646 0.00 0.00 -0.275 OA BRANCH 17 19 ATOM 19 C LIG 1 2.576 -1.421 -1.721 0.00 0.00 +0.112 C ATOM 20 C LIG 1 2.086 -0.246 -2.590 0.00 0.00 +0.101 C ATOM 21 N LIG 1 3.111 0.786 -2.838 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 4.197 0.259 -3.666 0.00 0.00 +0.105 C ATOM 23 C LIG 1 3.567 1.371 -1.539 0.00 0.00 +0.091 C ATOM 24 C LIG 1 3.826 0.310 -0.420 0.00 0.00 -0.025 C ATOM 25 C LIG 1 4.502 0.778 0.815 0.00 0.00 -0.011 A ATOM 26 C LIG 1 5.121 2.033 0.705 0.00 0.00 +0.010 A ATOM 27 C LIG 1 5.745 2.639 1.784 0.00 0.00 +0.047 A ATOM 28 N LIG 1 6.222 3.848 1.326 0.00 0.00 -0.360 N ATOM 29 H LIG 1 6.724 4.518 1.892 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 5.927 4.005 -0.011 0.00 0.00 +0.087 A ATOM 31 C LIG 1 5.802 2.026 3.037 0.00 0.00 +0.026 A ATOM 32 C LIG 1 5.192 0.769 3.155 0.00 0.00 +0.003 A ATOM 33 C LIG 1 5.245 2.882 -0.416 0.00 0.00 -0.020 A ATOM 34 C LIG 1 4.550 0.155 2.070 0.00 0.00 +0.009 A ATOM 35 C LIG 1 4.708 2.439 -1.732 0.00 0.00 +0.061 C ATOM 36 C LIG 1 3.412 -0.967 -0.548 0.00 0.00 -0.007 C ENDBRANCH 17 19 ENDBRANCH 1 15 BRANCH 1 38 ATOM 37 C LIG 1 0.829 -3.015 2.325 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -0.205 -3.378 1.255 0.00 0.00 +0.043 C ATOM 39 C LIG 1 -1.436 -4.011 1.919 0.00 0.00 +0.012 C ENDBRANCH 1 38 BRANCH 5 40 ATOM 40 O LIG 1 -2.086 -0.778 -1.883 0.00 0.00 -0.348 OA ATOM 41 H LIG 1 -1.867 -1.365 -2.626 0.00 0.00 +0.214 HD ENDBRANCH 5 40 BRANCH 13 42 ATOM 42 C LIG 1 -2.979 1.533 0.135 0.00 0.00 +0.067 C BRANCH 42 43 ATOM 43 C LIG 1 -3.308 2.624 1.128 0.00 0.00 -0.045 A ATOM 44 C LIG 1 -2.489 2.830 2.246 0.00 0.00 +0.004 A ATOM 45 C LIG 1 -2.795 3.827 3.174 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -3.924 4.623 2.996 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -4.749 4.422 1.891 0.00 0.00 +0.000 A ATOM 48 C LIG 1 -4.444 3.426 0.962 0.00 0.00 +0.004 A ENDBRANCH 42 43 ENDBRANCH 13 42 TORSDOF 6