REMARK Name = LIG000987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.950 1.479 0.013 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -4.192 1.128 0.513 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.983 -0.116 0.290 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -6.166 0.100 1.115 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -6.166 1.358 1.703 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -7.030 1.866 2.391 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -4.895 1.996 1.345 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -4.408 3.232 1.718 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -3.153 3.592 1.232 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.429 2.723 0.389 0.00 0.00 +0.046 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -7.362 -0.737 1.064 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -7.988 -0.731 -0.341 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -8.138 0.284 -1.018 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.348 -1.954 -0.847 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.783 -1.908 -1.760 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -7.603 -3.088 -0.672 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.619 -3.990 -1.505 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.678 -3.115 0.520 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.133 -2.151 1.602 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 20 ATOM 20 O LIG 1 -2.348 0.551 -0.786 0.00 0.00 -0.487 OA BRANCH 20 21 ATOM 21 C LIG 1 -1.197 0.950 -1.538 0.00 0.00 +0.264 C BRANCH 21 25 ATOM 22 C LIG 1 2.553 0.566 0.605 0.00 0.00 -0.033 A ATOM 23 C LIG 1 2.378 1.560 -0.368 0.00 0.00 +0.005 A ATOM 24 C LIG 1 1.166 1.681 -1.052 0.00 0.00 +0.007 A ATOM 25 C LIG 1 0.097 0.821 -0.767 0.00 0.00 -0.010 A ATOM 26 C LIG 1 0.277 -0.181 0.197 0.00 0.00 +0.007 A ATOM 27 C LIG 1 1.490 -0.303 0.880 0.00 0.00 +0.005 A BRANCH 22 28 ATOM 28 C LIG 1 3.865 0.445 1.352 0.00 0.00 +0.119 C BRANCH 28 33 ATOM 29 C LIG 1 8.707 -1.171 -1.274 0.00 0.00 +0.011 C ATOM 30 C LIG 1 7.343 -0.518 -0.992 0.00 0.00 -0.033 C ATOM 31 C LIG 1 6.310 -1.614 -0.666 0.00 0.00 +0.022 C ATOM 32 C LIG 1 4.943 -1.048 -0.249 0.00 0.00 +0.085 C ATOM 33 N LIG 1 5.022 0.236 0.469 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 6.283 0.373 1.193 0.00 0.00 +0.085 C ATOM 35 C LIG 1 7.463 0.451 0.212 0.00 0.00 +0.022 C ATOM 36 C LIG 1 6.918 0.256 -2.257 0.00 0.00 +0.011 C ENDBRANCH 28 33 ENDBRANCH 22 28 ENDBRANCH 21 25 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6