REMARK Name = BDB059170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.443 -0.060 -2.278 0.00 0.00 +0.191 A ATOM 2 N LIG 1 -2.245 -0.991 -1.748 0.00 0.00 -0.206 NA ATOM 3 C LIG 1 -1.911 -1.529 -0.558 0.00 0.00 +0.144 A ATOM 4 C LIG 1 -0.736 -1.155 0.093 0.00 0.00 +0.118 A ATOM 5 C LIG 1 0.049 -0.200 -0.538 0.00 0.00 +0.095 A ATOM 6 N LIG 1 -0.304 0.354 -1.720 0.00 0.00 -0.220 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -2.779 -2.494 -0.013 0.00 0.00 -0.312 N ATOM 8 C LIG 1 -3.595 -3.204 -1.024 0.00 0.00 +0.117 C ATOM 9 C LIG 1 -4.455 -4.294 -0.382 0.00 0.00 +0.088 C ATOM 10 S LIG 1 -5.762 -3.613 0.701 0.00 0.00 -0.158 S ATOM 11 C LIG 1 -5.006 -1.992 1.072 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -3.483 -2.063 1.220 0.00 0.00 +0.117 C ENDBRANCH 3 7 BRANCH 5 13 ATOM 13 C LIG 1 1.316 0.341 -0.004 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.393 -0.494 0.349 0.00 0.00 +0.059 A ATOM 15 C LIG 1 3.583 0.037 0.857 0.00 0.00 +0.166 A ATOM 16 C LIG 1 3.702 1.429 0.995 0.00 0.00 +0.204 A ATOM 17 C LIG 1 2.664 2.289 0.608 0.00 0.00 +0.166 A ATOM 18 C LIG 1 1.476 1.736 0.126 0.00 0.00 +0.059 A BRANCH 15 19 ATOM 19 O LIG 1 4.673 -0.706 1.232 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 4.527 -2.119 1.266 0.00 0.00 +0.277 C ENDBRANCH 15 19 BRANCH 16 21 ATOM 21 O LIG 1 4.889 1.966 1.442 0.00 0.00 -0.488 OA ATOM 22 C LIG 1 4.856 2.093 2.863 0.00 0.00 +0.277 C ENDBRANCH 16 21 BRANCH 17 23 ATOM 23 O LIG 1 2.891 3.633 0.761 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 1.994 4.520 0.107 0.00 0.00 +0.277 C ENDBRANCH 17 23 ENDBRANCH 5 13 BRANCH 4 25 ATOM 25 C LIG 1 -0.354 -1.734 1.341 0.00 0.00 +0.105 C ATOM 26 N LIG 1 -0.029 -2.187 2.360 0.00 0.00 -0.191 NA ENDBRANCH 4 25 BRANCH 1 27 ATOM 27 S LIG 1 -1.942 0.624 -3.833 0.00 0.00 -0.073 S BRANCH 27 28 ATOM 28 C LIG 1 -1.062 2.213 -3.787 0.00 0.00 +0.165 C BRANCH 28 30 ATOM 29 C LIG 1 -2.062 3.906 -1.978 0.00 0.00 +0.004 C ATOM 30 C LIG 1 -1.614 3.143 -2.791 0.00 0.00 -0.094 C ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9