REMARK Name = LIG001130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.125 -1.309 0.948 0.00 0.00 -0.289 NA ATOM 2 C LIG 1 -2.756 -1.164 2.375 0.00 0.00 +0.159 C ATOM 3 C LIG 1 -1.453 -0.448 2.571 0.00 0.00 +0.124 A ATOM 4 N LIG 1 -0.577 -0.256 1.531 0.00 0.00 -0.325 N ATOM 5 C LIG 1 0.542 0.371 2.008 0.00 0.00 +0.069 A ATOM 6 C LIG 1 0.280 0.520 3.357 0.00 0.00 +0.139 A ATOM 7 C LIG 1 -0.853 -0.699 0.181 0.00 0.00 +0.139 C ATOM 8 N LIG 1 -0.944 0.005 3.697 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 -1.968 -1.751 0.152 0.00 0.00 +0.107 C ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 1.711 0.718 1.217 0.00 0.00 +0.000 A ATOM 11 C LIG 1 2.902 -0.007 1.390 0.00 0.00 +0.016 A ATOM 12 C LIG 1 3.989 0.311 0.594 0.00 0.00 -0.017 A ATOM 13 C LIG 1 5.350 -0.296 0.552 0.00 0.00 +0.144 C ATOM 14 N LIG 1 5.972 0.395 -0.569 0.00 0.00 -0.282 N ATOM 15 C LIG 1 5.180 1.429 -1.047 0.00 0.00 +0.248 C ATOM 16 O LIG 1 5.452 2.269 -1.882 0.00 0.00 -0.270 OA ATOM 17 C LIG 1 3.896 1.338 -0.343 0.00 0.00 +0.042 A ATOM 18 C LIG 1 2.747 2.085 -0.525 0.00 0.00 +0.014 A ATOM 19 C LIG 1 1.642 1.763 0.268 0.00 0.00 +0.011 A BRANCH 14 20 ATOM 20 C LIG 1 7.392 0.234 -0.864 0.00 0.00 +0.163 C ATOM 21 C LIG 1 8.246 1.257 -0.098 0.00 0.00 +0.240 C ATOM 22 O LIG 1 7.926 1.730 0.992 0.00 0.00 -0.273 OA ATOM 23 N LIG 1 9.477 1.541 -0.644 0.00 0.00 -0.255 N ATOM 24 H LIG 1 10.043 2.207 -0.138 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 10.029 1.037 -1.796 0.00 0.00 +0.219 C ATOM 26 O LIG 1 11.165 1.344 -2.140 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 9.201 0.034 -2.562 0.00 0.00 +0.098 C ATOM 28 C LIG 1 7.713 0.279 -2.358 0.00 0.00 +0.041 C ENDBRANCH 14 20 ENDBRANCH 5 10 BRANCH 1 29 ATOM 29 C LIG 1 -4.256 -2.233 0.779 0.00 0.00 +0.120 C BRANCH 29 31 ATOM 30 C LIG 1 -6.315 -0.726 0.503 0.00 0.00 -0.013 A ATOM 31 C LIG 1 -5.578 -1.666 1.257 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.081 -2.096 2.501 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.294 -1.614 2.992 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -8.027 -0.696 2.247 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.541 -0.259 1.016 0.00 0.00 +0.009 A BRANCH 30 38 ATOM 36 C LIG 1 -4.910 1.899 0.214 0.00 0.00 +0.044 C ATOM 37 C LIG 1 -5.207 1.011 -0.965 0.00 0.00 -0.043 A ATOM 38 C LIG 1 -5.866 -0.229 -0.811 0.00 0.00 -0.015 A ATOM 39 C LIG 1 -6.128 -1.003 -1.958 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -5.739 -0.573 -3.225 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.089 0.649 -3.371 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -4.824 1.436 -2.250 0.00 0.00 +0.004 A ENDBRANCH 30 38 ENDBRANCH 29 31 ENDBRANCH 1 29 TORSDOF 5