REMARK Name = LIG000162 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 0.666 0.021 0.00 0.00 +0.246 C ATOM 2 N LIG 1 0.294 -0.374 0.296 0.00 0.00 -0.300 N ATOM 3 H LIG 1 -0.074 -1.205 0.752 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.171 1.811 -0.174 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.722 -0.140 0.469 0.00 0.00 +0.160 C ATOM 6 C LIG 1 2.335 -1.363 1.159 0.00 0.00 +0.240 C ATOM 7 O LIG 1 1.658 -2.196 1.762 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 3.701 -1.475 1.085 0.00 0.00 -0.255 N ATOM 9 H LIG 1 4.096 -2.293 1.530 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 4.509 -0.881 0.149 0.00 0.00 +0.219 C ATOM 11 O LIG 1 5.659 -1.272 -0.029 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 3.922 0.284 -0.611 0.00 0.00 +0.098 C ATOM 13 C LIG 1 2.434 0.088 -0.860 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 15 ATOM 14 C LIG 1 -2.982 1.367 0.253 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.032 0.348 0.022 0.00 0.00 +0.057 A ATOM 16 C LIG 1 -2.470 -0.963 -0.234 0.00 0.00 +0.015 A ATOM 17 C LIG 1 -3.830 -1.276 -0.199 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -4.762 -0.286 0.093 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -4.339 1.023 0.327 0.00 0.00 +0.023 A BRANCH 14 20 ATOM 20 N LIG 1 -2.630 2.696 0.583 0.00 0.00 -0.357 N ATOM 21 H LIG 1 -2.689 2.853 1.586 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -1.667 2.889 0.276 0.00 0.00 +0.142 HD ENDBRANCH 14 20 ENDBRANCH 1 15 TORSDOF 3