REMARK Name = LIG000164 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.743 -4.455 -0.212 0.00 0.00 -0.315 N ATOM 2 C LIG 1 0.597 -3.099 -0.120 0.00 0.00 +0.167 A ATOM 3 C LIG 1 1.876 -2.599 -0.244 0.00 0.00 +0.148 A ATOM 4 C LIG 1 2.010 -1.206 -0.172 0.00 0.00 +0.152 A ATOM 5 N LIG 1 0.880 -0.476 0.009 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -0.333 -1.073 0.112 0.00 0.00 +0.222 A ATOM 7 N LIG 1 2.795 -3.616 -0.405 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -0.532 -2.404 0.058 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 2.075 -4.720 -0.385 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -1.431 -0.261 0.319 0.00 0.00 -0.297 N ATOM 11 C LIG 1 -1.245 1.188 0.240 0.00 0.00 +0.123 C ATOM 12 C LIG 1 -2.530 1.901 0.714 0.00 0.00 +0.103 C ATOM 13 N LIG 1 -3.734 1.590 -0.091 0.00 0.00 -0.295 NA ATOM 14 C LIG 1 -3.633 0.251 -0.716 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -2.768 -0.788 0.037 0.00 0.00 +0.123 C BRANCH 13 16 ATOM 16 C LIG 1 -4.945 1.748 0.728 0.00 0.00 +0.119 C BRANCH 16 17 ATOM 17 C LIG 1 -6.219 1.804 -0.086 0.00 0.00 -0.031 A ATOM 18 C LIG 1 -6.334 2.659 -1.187 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -7.529 2.688 -1.888 0.00 0.00 +0.111 A ATOM 20 N LIG 1 -8.607 1.941 -1.566 0.00 0.00 -0.263 NA ATOM 21 C LIG 1 -8.482 1.132 -0.493 0.00 0.00 +0.111 A ATOM 22 C LIG 1 -7.328 1.031 0.270 0.00 0.00 +0.024 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 24 ATOM 23 C LIG 1 -0.661 -5.828 1.274 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -0.320 -5.433 -0.152 0.00 0.00 +0.121 C ENDBRANCH 1 24 BRANCH 4 25 ATOM 25 N LIG 1 3.263 -0.582 -0.300 0.00 0.00 -0.320 N ATOM 26 H LIG 1 3.981 -1.291 -0.141 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.416 0.586 0.562 0.00 0.00 +0.177 C BRANCH 27 28 ATOM 28 C LIG 1 4.717 1.294 0.342 0.00 0.00 +0.125 A ATOM 29 N LIG 1 5.209 1.495 -0.926 0.00 0.00 -0.341 N ATOM 30 H LIG 1 4.758 1.170 -1.771 0.00 0.00 +0.167 HD ATOM 31 C LIG 1 6.401 2.162 -0.824 0.00 0.00 +0.068 A ATOM 32 C LIG 1 6.578 2.339 0.543 0.00 0.00 +0.091 A ATOM 33 C LIG 1 7.722 3.000 1.010 0.00 0.00 +0.051 A ATOM 34 C LIG 1 8.658 3.464 0.075 0.00 0.00 +0.061 A ATOM 35 C LIG 1 8.456 3.271 -1.301 0.00 0.00 +0.061 A ATOM 36 CL LIG 1 9.591 3.830 -2.483 0.00 0.00 -0.082 Cl ATOM 37 CL LIG 1 10.057 4.275 0.693 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 7.315 2.611 -1.780 0.00 0.00 +0.049 A ATOM 39 N LIG 1 5.532 1.798 1.248 0.00 0.00 -0.231 NA ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 7