REMARK Name = LIG001825 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.487 0.483 -0.238 0.00 0.00 +0.245 C ATOM 2 N LIG 1 0.584 -0.174 0.327 0.00 0.00 -0.300 N ATOM 3 H LIG 1 0.403 -0.840 1.074 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.368 1.527 -0.870 0.00 0.00 -0.270 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.915 0.415 0.312 0.00 0.00 +0.160 C ATOM 6 C LIG 1 2.783 -0.314 1.343 0.00 0.00 +0.240 C ATOM 7 O LIG 1 2.308 -1.012 2.239 0.00 0.00 -0.273 OA ATOM 8 N LIG 1 4.138 -0.134 1.225 0.00 0.00 -0.255 N ATOM 9 H LIG 1 4.703 -0.632 1.901 0.00 0.00 +0.158 HD ATOM 10 C LIG 1 4.804 0.249 0.088 0.00 0.00 +0.219 C ATOM 11 O LIG 1 6.015 0.083 -0.019 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 3.976 0.908 -0.991 0.00 0.00 +0.098 C ATOM 13 C LIG 1 2.580 0.309 -1.057 0.00 0.00 +0.041 C ENDBRANCH 2 5 BRANCH 1 16 ATOM 14 C LIG 1 -4.240 0.208 0.090 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -2.952 0.721 -0.078 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -1.831 -0.119 -0.017 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -2.001 -1.486 0.235 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -3.280 -1.992 0.463 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -4.388 -1.143 0.414 0.00 0.00 +0.023 A BRANCH 14 20 ATOM 20 N LIG 1 -5.340 1.072 0.154 0.00 0.00 -0.358 N ATOM 21 H LIG 1 -6.229 0.624 -0.041 0.00 0.00 +0.142 HD ATOM 22 H LIG 1 -5.218 1.931 -0.373 0.00 0.00 +0.142 HD ENDBRANCH 14 20 ENDBRANCH 1 16 TORSDOF 3