REMARK Name = LIG000269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.120 0.155 -1.718 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.857 0.743 -2.086 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 4.992 -0.747 0.190 0.00 0.00 -0.282 N ATOM 4 C LIG 1 4.675 -2.059 0.495 0.00 0.00 +0.248 C ATOM 5 O LIG 1 5.347 -2.864 1.110 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 3.328 -2.304 -0.029 0.00 0.00 +0.043 A ATOM 7 C LIG 1 2.852 -1.120 -0.602 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.585 -1.056 -1.176 0.00 0.00 +0.038 A ATOM 9 C LIG 1 0.816 -2.230 -1.103 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.306 -3.418 -0.519 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.584 -3.464 0.027 0.00 0.00 +0.013 A ATOM 12 C LIG 1 3.886 -0.049 -0.450 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 8.335 3.021 2.406 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 7.747 2.056 1.928 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.594 1.925 0.572 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.933 2.708 0.029 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.701 1.104 -0.078 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.393 1.333 -1.246 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.168 -0.082 0.745 0.00 0.00 +0.163 C ATOM 20 C LIG 1 5.904 0.387 2.178 0.00 0.00 +0.041 C ATOM 21 C LIG 1 7.182 0.947 2.781 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 -0.179 0.542 -2.014 0.00 0.00 +0.123 C ATOM 23 C LIG 1 -0.317 1.754 -2.882 0.00 0.00 +0.058 C ATOM 24 C LIG 1 -1.553 2.141 -3.186 0.00 0.00 +0.074 C ATOM 25 N LIG 1 -2.660 1.450 -2.788 0.00 0.00 -0.314 N ATOM 26 H LIG 1 -3.428 2.044 -2.488 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -2.545 0.353 -1.868 0.00 0.00 +0.282 C ATOM 28 N LIG 1 -1.200 -0.083 -1.525 0.00 0.00 -0.229 NA BRANCH 27 29 ATOM 29 N LIG 1 -3.240 0.774 -0.677 0.00 0.00 -0.308 N ATOM 30 H LIG 1 -2.635 0.535 0.102 0.00 0.00 +0.150 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.564 0.392 -0.443 0.00 0.00 +0.033 A ATOM 32 C LIG 1 -5.028 0.365 0.882 0.00 0.00 +0.072 A ATOM 33 C LIG 1 -6.361 0.072 1.176 0.00 0.00 +0.164 A ATOM 34 O LIG 1 -6.714 0.067 2.502 0.00 0.00 -0.485 OA ATOM 35 C LIG 1 -8.137 0.101 2.662 0.00 0.00 +0.270 C ATOM 36 C LIG 1 -8.807 -0.888 1.722 0.00 0.00 +0.270 C ATOM 37 O LIG 1 -8.575 -0.524 0.356 0.00 0.00 -0.485 OA ATOM 38 C LIG 1 -7.261 -0.198 0.145 0.00 0.00 +0.162 A ATOM 39 C LIG 1 -6.837 -0.118 -1.176 0.00 0.00 +0.051 A ATOM 40 C LIG 1 -5.502 0.189 -1.465 0.00 0.00 +0.027 A ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 5