REMARK Name = LIG000211 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.288 -0.156 -0.250 0.00 0.00 -0.300 N ATOM 2 H LIG 1 -0.926 -0.216 -1.197 0.00 0.00 +0.150 HD ATOM 3 C LIG 1 -0.433 -0.357 0.811 0.00 0.00 +0.245 C ATOM 4 O LIG 1 -0.823 -0.645 1.935 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 O LIG 1 -5.630 1.531 0.485 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 -4.708 0.846 0.073 0.00 0.00 +0.221 C ATOM 7 N LIG 1 -4.638 0.311 -1.171 0.00 0.00 -0.255 N ATOM 8 H LIG 1 -5.299 0.550 -1.894 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 -3.427 -0.242 -1.421 0.00 0.00 +0.240 C ATOM 10 O LIG 1 -2.976 -0.525 -2.520 0.00 0.00 -0.273 OA ATOM 11 C LIG 1 -2.709 -0.425 -0.098 0.00 0.00 +0.168 C ATOM 12 C LIG 1 -3.450 0.530 0.831 0.00 0.00 +0.128 C ENDBRANCH 1 11 BRANCH 3 13 ATOM 13 C LIG 1 1.024 -0.238 0.536 0.00 0.00 +0.041 A ATOM 14 C LIG 1 1.913 -0.927 1.373 0.00 0.00 +0.046 A ATOM 15 C LIG 1 3.295 -0.826 1.158 0.00 0.00 +0.129 A ATOM 16 C LIG 1 3.803 -0.036 0.118 0.00 0.00 +0.065 A ATOM 17 C LIG 1 2.905 0.658 -0.703 0.00 0.00 +0.129 A ATOM 18 C LIG 1 1.519 0.565 -0.500 0.00 0.00 +0.046 A BRANCH 15 19 ATOM 19 N LIG 1 4.221 -1.558 2.032 0.00 0.00 +0.057 N ATOM 20 O LIG 1 3.736 -2.377 2.824 0.00 0.00 -0.126 OA ATOM 21 O LIG 1 5.428 -1.314 1.916 0.00 0.00 -0.126 OA ENDBRANCH 15 19 BRANCH 17 22 ATOM 22 N LIG 1 3.420 1.502 -1.791 0.00 0.00 +0.057 N ATOM 23 O LIG 1 2.590 2.057 -2.523 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 4.647 1.600 -1.909 0.00 0.00 -0.126 OA ENDBRANCH 17 22 ENDBRANCH 3 13 TORSDOF 4