REMARK Name = LIG001610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.514 1.282 -0.472 0.00 0.00 +0.166 A ATOM 2 C LIG 1 -3.447 0.377 0.061 0.00 0.00 +0.204 A ATOM 3 C LIG 1 -3.056 -0.893 0.517 0.00 0.00 +0.166 A ATOM 4 C LIG 1 -1.713 -1.263 0.410 0.00 0.00 +0.057 A ATOM 5 C LIG 1 -0.764 -0.372 -0.116 0.00 0.00 -0.018 A ATOM 6 C LIG 1 -1.176 0.891 -0.568 0.00 0.00 +0.057 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -2.080 3.466 -1.336 0.00 0.00 +0.277 C ATOM 8 O LIG 1 -3.008 2.496 -0.873 0.00 0.00 -0.491 OA ENDBRANCH 1 8 BRANCH 2 9 ATOM 9 O LIG 1 -4.761 0.771 0.203 0.00 0.00 -0.488 OA ATOM 10 C LIG 1 -5.503 0.408 -0.960 0.00 0.00 +0.277 C ENDBRANCH 2 9 BRANCH 3 11 ATOM 11 O LIG 1 -4.050 -1.688 1.028 0.00 0.00 -0.491 OA ATOM 12 C LIG 1 -3.673 -2.942 1.579 0.00 0.00 +0.277 C ENDBRANCH 3 11 BRANCH 5 13 ATOM 13 C LIG 1 0.652 -0.741 -0.257 0.00 0.00 +0.013 C ATOM 14 C LIG 1 1.330 -1.446 0.662 0.00 0.00 +0.068 C BRANCH 14 15 ATOM 15 C LIG 1 2.748 -1.830 0.443 0.00 0.00 +0.246 C ATOM 16 N LIG 1 3.644 -0.815 0.184 0.00 0.00 -0.235 N ATOM 17 C LIG 1 4.617 -1.041 -0.774 0.00 0.00 +0.246 C ATOM 18 O LIG 1 4.635 -1.968 -1.578 0.00 0.00 -0.270 OA ATOM 19 C LIG 1 5.700 -0.021 -0.864 0.00 0.00 +0.064 C ATOM 20 C LIG 1 5.801 0.991 0.007 0.00 0.00 -0.020 C ATOM 21 C LIG 1 4.787 1.199 1.085 0.00 0.00 +0.047 C ATOM 22 C LIG 1 3.462 0.536 0.713 0.00 0.00 +0.121 C ATOM 23 O LIG 1 3.061 -3.000 0.654 0.00 0.00 -0.270 OA ENDBRANCH 14 15 ENDBRANCH 5 13 TORSDOF 5