REMARK Name = LIG000664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 S LIG 1 -1.131 -2.471 0.927 0.00 0.00 -0.086 S ENDROOT BRANCH 1 8 ATOM 2 O LIG 1 -2.495 3.148 1.450 0.00 0.00 -0.275 OA ATOM 3 C LIG 1 -2.329 1.932 1.428 0.00 0.00 +0.219 C ATOM 4 N LIG 1 -2.346 1.234 0.249 0.00 0.00 -0.255 N ATOM 5 H LIG 1 -2.531 1.779 -0.582 0.00 0.00 +0.158 HD ATOM 6 C LIG 1 -2.378 -0.131 0.084 0.00 0.00 +0.233 C ATOM 7 O LIG 1 -2.709 -0.609 -1.001 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -2.088 -0.970 1.326 0.00 0.00 +0.140 C ATOM 9 C LIG 1 -1.419 -0.164 2.439 0.00 0.00 +0.033 C ATOM 10 C LIG 1 -2.203 1.114 2.690 0.00 0.00 +0.098 C ENDBRANCH 1 8 BRANCH 1 11 ATOM 11 C LIG 1 0.183 -1.839 -0.045 0.00 0.00 +0.136 A ATOM 12 S LIG 1 1.137 -2.850 -1.041 0.00 0.00 -0.061 S ATOM 13 C LIG 1 2.059 -1.484 -1.539 0.00 0.00 +0.040 A ATOM 14 C LIG 1 1.570 -0.348 -0.891 0.00 0.00 +0.079 A ATOM 15 C LIG 1 2.181 0.895 -1.149 0.00 0.00 +0.029 A ATOM 16 C LIG 1 3.256 0.970 -2.041 0.00 0.00 +0.002 A ATOM 17 C LIG 1 3.727 -0.175 -2.675 0.00 0.00 +0.001 A ATOM 18 C LIG 1 3.139 -1.421 -2.436 0.00 0.00 +0.017 A ATOM 19 N LIG 1 0.503 -0.566 -0.035 0.00 0.00 -0.233 NA ENDBRANCH 1 11 TORSDOF 2