REMARK Name = LIG001847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 4.155 -0.238 1.254 0.00 0.00 -0.282 N ATOM 2 C LIG 1 3.672 0.305 2.436 0.00 0.00 +0.248 C ATOM 3 O LIG 1 4.110 0.159 3.561 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.498 1.110 2.085 0.00 0.00 +0.042 A ATOM 5 C LIG 1 2.354 1.084 0.700 0.00 0.00 -0.018 A ATOM 6 C LIG 1 1.314 1.766 0.094 0.00 0.00 +0.011 A ATOM 7 C LIG 1 0.414 2.484 0.905 0.00 0.00 -0.030 A ATOM 8 C LIG 1 0.580 2.490 2.311 0.00 0.00 +0.006 A ATOM 9 C LIG 1 1.635 1.801 2.913 0.00 0.00 +0.014 A ATOM 10 C LIG 1 3.443 0.269 0.087 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 8.918 -2.163 -0.661 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 7.914 -1.820 -0.044 0.00 0.00 +0.219 C ATOM 13 N LIG 1 7.760 -0.530 0.396 0.00 0.00 -0.255 N ATOM 14 H LIG 1 8.485 0.109 0.096 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 6.570 0.069 0.744 0.00 0.00 +0.240 C ATOM 16 O LIG 1 6.454 1.291 0.690 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 5.453 -0.895 1.180 0.00 0.00 +0.163 C ATOM 18 C LIG 1 5.445 -2.101 0.244 0.00 0.00 +0.041 C ATOM 19 C LIG 1 6.801 -2.786 0.291 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 -0.750 3.210 0.273 0.00 0.00 +0.141 C BRANCH 20 21 ATOM 21 N LIG 1 -1.869 2.317 0.069 0.00 0.00 -0.295 N ATOM 22 H LIG 1 -2.205 1.839 0.890 0.00 0.00 +0.151 HD ATOM 23 C LIG 1 -2.028 1.645 -1.127 0.00 0.00 +0.304 C ATOM 24 N LIG 1 -3.106 0.792 -1.061 0.00 0.00 -0.269 N ATOM 25 H LIG 1 -3.700 0.911 -0.253 0.00 0.00 +0.156 HD ATOM 26 O LIG 1 -1.295 1.831 -2.090 0.00 0.00 -0.252 OA BRANCH 24 27 ATOM 27 C LIG 1 -3.571 -0.119 -2.041 0.00 0.00 +0.042 A ATOM 28 C LIG 1 -4.778 -0.820 -1.794 0.00 0.00 +0.003 A ATOM 29 C LIG 1 -5.247 -1.737 -2.755 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -4.542 -1.962 -3.935 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -3.357 -1.276 -4.171 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.873 -0.363 -3.230 0.00 0.00 +0.024 A BRANCH 28 33 ATOM 33 C LIG 1 -5.566 -0.627 -0.567 0.00 0.00 -0.016 A ATOM 34 C LIG 1 -5.359 -1.448 0.552 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -6.091 -1.251 1.724 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.040 -0.232 1.791 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.259 0.589 0.686 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.527 0.392 -0.486 0.00 0.00 +0.008 A ENDBRANCH 28 33 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 7 20 TORSDOF 5