REMARK Name = LIG001990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.510 1.872 1.835 0.00 0.00 -0.033 A ATOM 2 C LIG 1 1.540 0.906 2.850 0.00 0.00 +0.005 A ATOM 3 C LIG 1 0.690 -0.203 2.810 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -0.228 -0.361 1.763 0.00 0.00 -0.010 A ATOM 5 C LIG 1 -0.259 0.602 0.747 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.592 1.710 0.789 0.00 0.00 +0.005 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.437 3.071 1.878 0.00 0.00 +0.119 C BRANCH 7 11 ATOM 8 N LIG 1 5.476 0.972 -0.215 0.00 0.00 -0.327 N ATOM 9 C LIG 1 5.894 1.620 1.040 0.00 0.00 +0.120 C ATOM 10 C LIG 1 4.665 2.004 1.899 0.00 0.00 +0.103 C ATOM 11 N LIG 1 3.741 2.929 1.224 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 3.696 2.712 -0.231 0.00 0.00 +0.103 C ATOM 13 C LIG 1 4.126 1.303 -0.703 0.00 0.00 +0.120 C BRANCH 8 17 ATOM 14 C LIG 1 7.918 -1.908 -2.143 0.00 0.00 +0.120 A ATOM 15 C LIG 1 6.546 -1.866 -2.376 0.00 0.00 +0.047 A ATOM 16 C LIG 1 5.740 -0.912 -1.739 0.00 0.00 +0.027 A ATOM 17 C LIG 1 6.269 0.029 -0.845 0.00 0.00 +0.030 A ATOM 18 C LIG 1 7.656 -0.034 -0.631 0.00 0.00 +0.027 A ATOM 19 C LIG 1 8.473 -0.984 -1.266 0.00 0.00 +0.047 A BRANCH 14 21 ATOM 20 C LIG 1 9.995 -2.954 -2.620 0.00 0.00 +0.277 C ATOM 21 O LIG 1 8.590 -2.883 -2.824 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 8 17 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -1.117 -1.583 1.722 0.00 0.00 +0.264 C BRANCH 22 23 ATOM 23 O LIG 1 -2.363 -1.363 1.052 0.00 0.00 -0.487 OA BRANCH 23 24 ATOM 24 C LIG 1 -3.392 -0.808 1.755 0.00 0.00 +0.126 A ATOM 25 C LIG 1 -4.611 -0.762 1.101 0.00 0.00 +0.024 A ATOM 26 C LIG 1 -4.967 -1.220 -0.272 0.00 0.00 +0.148 C ATOM 27 N LIG 1 -6.404 -0.981 -0.330 0.00 0.00 -0.281 N ATOM 28 C LIG 1 -6.858 -0.296 0.786 0.00 0.00 +0.248 C ATOM 29 O LIG 1 -7.962 0.171 0.990 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 -5.729 -0.205 1.718 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -5.693 0.330 2.989 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -4.470 0.294 3.657 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -3.329 -0.269 3.046 0.00 0.00 +0.046 A BRANCH 27 34 ATOM 34 C LIG 1 -7.140 -1.094 -1.584 0.00 0.00 +0.163 C ATOM 35 C LIG 1 -7.130 0.234 -2.358 0.00 0.00 +0.240 C ATOM 36 O LIG 1 -6.204 1.042 -2.310 0.00 0.00 -0.273 OA ATOM 37 N LIG 1 -8.179 0.433 -3.226 0.00 0.00 -0.255 N ATOM 38 H LIG 1 -8.153 1.292 -3.758 0.00 0.00 +0.158 HD ATOM 39 C LIG 1 -9.197 -0.435 -3.533 0.00 0.00 +0.219 C ATOM 40 O LIG 1 -9.994 -0.182 -4.432 0.00 0.00 -0.275 OA ATOM 41 C LIG 1 -9.224 -1.743 -2.778 0.00 0.00 +0.098 C ATOM 42 C LIG 1 -8.570 -1.605 -1.412 0.00 0.00 +0.041 C ENDBRANCH 27 34 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8