REMARK Name = LIG000361 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.225 0.370 0.078 0.00 0.00 +0.072 A ATOM 2 N LIG 1 -1.337 1.719 0.077 0.00 0.00 -0.243 NA ATOM 3 C LIG 1 -2.550 2.215 0.403 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -3.634 1.418 0.738 0.00 0.00 +0.089 A ATOM 5 N LIG 1 -4.652 2.297 0.987 0.00 0.00 -0.275 N ATOM 6 H LIG 1 -5.606 2.081 1.255 0.00 0.00 +0.189 HD ATOM 7 N LIG 1 -4.314 3.591 0.852 0.00 0.00 -0.167 NA ATOM 8 C LIG 1 -3.549 0.023 0.768 0.00 0.00 -0.004 A ATOM 9 C LIG 1 -3.011 3.549 0.488 0.00 0.00 +0.191 A ATOM 10 C LIG 1 -2.282 -0.480 0.422 0.00 0.00 +0.035 A ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 4.749 -0.287 -0.761 0.00 0.00 -0.282 N ATOM 12 C LIG 1 4.049 -1.377 -1.254 0.00 0.00 +0.248 C ATOM 13 O LIG 1 4.498 -2.393 -1.749 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.627 -1.107 -1.021 0.00 0.00 +0.042 A ATOM 15 C LIG 1 2.520 0.106 -0.350 0.00 0.00 -0.017 A ATOM 16 C LIG 1 1.275 0.596 0.011 0.00 0.00 +0.016 A ATOM 17 C LIG 1 0.112 -0.145 -0.303 0.00 0.00 +0.001 A ATOM 18 C LIG 1 0.268 -1.376 -0.998 0.00 0.00 +0.011 A ATOM 19 C LIG 1 1.528 -1.869 -1.357 0.00 0.00 +0.014 A ATOM 20 C LIG 1 3.874 0.696 -0.132 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 9.864 0.575 1.089 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 8.799 0.287 0.550 0.00 0.00 +0.219 C ATOM 23 N LIG 1 8.150 1.187 -0.257 0.00 0.00 -0.255 N ATOM 24 H LIG 1 8.577 2.101 -0.319 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.861 1.103 -0.732 0.00 0.00 +0.240 C ATOM 26 O LIG 1 6.324 2.094 -1.222 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.204 -0.284 -0.638 0.00 0.00 +0.163 C ATOM 28 C LIG 1 6.639 -0.966 0.660 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.155 -1.068 0.704 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 C LIG 1 -2.180 4.758 0.213 0.00 0.00 +0.438 C ATOM 31 F LIG 1 -1.768 4.818 -1.083 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -1.057 4.800 0.983 0.00 0.00 -0.164 F ATOM 33 F LIG 1 -2.841 5.926 0.453 0.00 0.00 -0.164 F ENDBRANCH 9 30 BRANCH 8 34 ATOM 34 C LIG 1 -4.681 -0.908 1.131 0.00 0.00 +0.121 C BRANCH 34 35 ATOM 35 N LIG 1 -5.009 -1.841 0.042 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -5.686 -1.185 -1.089 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -7.162 -1.131 -0.720 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -7.352 -2.228 0.317 0.00 0.00 +0.017 C ATOM 39 C LIG 1 -5.977 -2.857 0.485 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 5