REMARK Name = LIG000674 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 4.571 -0.440 -0.227 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 3.357 -0.312 -0.090 0.00 0.00 +0.222 C ATOM 3 N LIG 1 2.561 -1.361 0.274 0.00 0.00 -0.240 N ATOM 4 H LIG 1 3.022 -2.257 0.340 0.00 0.00 +0.159 HD ATOM 5 C LIG 1 1.190 -1.421 0.176 0.00 0.00 +0.313 C ATOM 6 O LIG 1 0.666 -2.531 0.155 0.00 0.00 -0.252 OA ATOM 7 N LIG 1 0.541 -0.181 0.121 0.00 0.00 -0.255 N ATOM 8 C LIG 1 1.343 1.013 0.371 0.00 0.00 +0.124 C ATOM 9 C LIG 1 2.643 0.965 -0.404 0.00 0.00 +0.115 C ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -0.890 -0.071 0.047 0.00 0.00 +0.038 A ATOM 11 C LIG 1 -1.669 -1.065 -0.563 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -3.061 -0.951 -0.651 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.706 0.164 -0.130 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -2.958 1.164 0.480 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -1.565 1.048 0.566 0.00 0.00 +0.023 A ENDBRANCH 7 10 TORSDOF 1