REMARK Name = BDB002873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.403 0.097 0.649 0.00 0.00 +0.066 C ATOM 2 C LIG 1 -1.955 0.013 0.261 0.00 0.00 +0.046 A ATOM 3 N LIG 1 -1.061 0.226 1.275 0.00 0.00 -0.228 NA ATOM 4 C LIG 1 0.202 0.224 0.991 0.00 0.00 +0.176 A ATOM 5 S LIG 1 1.265 0.534 2.340 0.00 0.00 -0.059 S ATOM 6 C LIG 1 2.866 0.352 1.583 0.00 0.00 +0.239 C ATOM 7 O LIG 1 2.874 0.778 0.237 0.00 0.00 -0.348 OA ATOM 8 C LIG 1 2.112 -0.112 -0.556 0.00 0.00 +0.291 C ATOM 9 N LIG 1 0.707 0.013 -0.268 0.00 0.00 -0.264 N ATOM 10 C LIG 1 -0.148 -0.338 -1.291 0.00 0.00 +0.257 A ATOM 11 O LIG 1 0.207 -0.728 -2.401 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 -1.584 -0.258 -0.993 0.00 0.00 +0.093 A ENDROOT TORSDOF 0