REMARK Name = LIG001698 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.633 -0.235 -0.455 0.00 0.00 +0.165 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.345 0.307 0.803 0.00 0.00 +0.234 C ATOM 3 N LIG 1 2.557 -0.285 1.085 0.00 0.00 -0.302 N ATOM 4 H LIG 1 2.746 -1.200 0.682 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 0.888 1.223 1.486 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 3.262 0.039 2.314 0.00 0.00 +0.168 C ATOM 7 C LIG 1 4.512 -0.807 2.452 0.00 0.00 +0.240 C ATOM 8 O LIG 1 4.627 -1.974 2.109 0.00 0.00 -0.273 OA ATOM 9 N LIG 1 5.484 -0.039 3.000 0.00 0.00 -0.255 N ATOM 10 H LIG 1 6.420 -0.371 3.177 0.00 0.00 +0.158 HD ATOM 11 C LIG 1 5.188 1.283 2.936 0.00 0.00 +0.221 C ATOM 12 O LIG 1 5.960 2.183 3.221 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 3.801 1.463 2.390 0.00 0.00 +0.128 C ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 14 ATOM 14 N LIG 1 -0.734 0.255 -0.442 0.00 0.00 -0.270 N ATOM 15 H LIG 1 -0.916 1.160 -0.022 0.00 0.00 +0.153 HD ATOM 16 C LIG 1 -1.813 -0.555 -0.592 0.00 0.00 +0.401 C ATOM 17 O LIG 1 -1.761 -1.735 -0.900 0.00 0.00 -0.226 OA BRANCH 16 18 ATOM 18 O LIG 1 -2.932 0.159 -0.339 0.00 0.00 -0.445 OA BRANCH 18 19 ATOM 19 C LIG 1 -4.242 -0.458 -0.427 0.00 0.00 +0.107 C ATOM 20 C LIG 1 -5.227 0.667 -0.076 0.00 0.00 +0.055 C ATOM 21 C LIG 1 -4.536 -0.940 -1.852 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -4.398 -1.584 0.602 0.00 0.00 +0.055 C ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 1 14 BRANCH 1 24 ATOM 23 C LIG 1 1.418 1.654 -2.004 0.00 0.00 +0.009 C ATOM 24 C LIG 1 1.394 0.144 -1.746 0.00 0.00 +0.012 C ATOM 25 C LIG 1 0.817 -0.583 -2.965 0.00 0.00 +0.009 C ENDBRANCH 1 24 TORSDOF 6