REMARK Name = BDB061573 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.095 1.560 1.964 0.00 0.00 +0.190 A ATOM 2 N LIG 1 0.035 0.857 1.549 0.00 0.00 -0.221 NA ATOM 3 C LIG 1 -0.469 1.156 0.328 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.038 2.176 -0.460 0.00 0.00 +0.110 A ATOM 5 C LIG 1 1.102 2.874 0.085 0.00 0.00 +0.126 A ATOM 6 N LIG 1 1.651 2.564 1.281 0.00 0.00 -0.214 NA ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.590 0.288 -0.065 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -2.784 0.290 0.683 0.00 0.00 +0.059 A ATOM 9 C LIG 1 -3.859 -0.539 0.340 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.731 -1.394 -0.766 0.00 0.00 +0.204 A ATOM 11 C LIG 1 -2.560 -1.388 -1.533 0.00 0.00 +0.166 A ATOM 12 C LIG 1 -1.487 -0.577 -1.165 0.00 0.00 +0.059 A BRANCH 9 13 ATOM 13 O LIG 1 -5.049 -0.602 1.019 0.00 0.00 -0.491 OA ATOM 14 C LIG 1 -5.230 0.289 2.111 0.00 0.00 +0.277 C ENDBRANCH 9 13 BRANCH 10 15 ATOM 15 O LIG 1 -4.780 -2.211 -1.114 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -4.629 -3.483 -0.484 0.00 0.00 +0.277 C ENDBRANCH 10 15 BRANCH 11 17 ATOM 17 O LIG 1 -2.361 -2.199 -2.619 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.272 -1.897 -3.678 0.00 0.00 +0.277 C ENDBRANCH 11 17 ENDBRANCH 3 7 BRANCH 4 19 ATOM 19 C LIG 1 -0.514 2.490 -1.738 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -0.953 2.722 -2.788 0.00 0.00 -0.191 NA ENDBRANCH 4 19 BRANCH 1 21 ATOM 21 S LIG 1 1.827 1.143 3.519 0.00 0.00 -0.081 S BRANCH 21 22 ATOM 22 C LIG 1 1.817 -0.670 3.380 0.00 0.00 +0.112 C BRANCH 22 26 ATOM 23 C LIG 1 4.109 -2.175 0.028 0.00 0.00 +0.059 A ATOM 24 C LIG 1 2.721 -2.352 0.076 0.00 0.00 +0.015 A ATOM 25 C LIG 1 1.986 -1.871 1.163 0.00 0.00 +0.005 A ATOM 26 C LIG 1 2.624 -1.202 2.217 0.00 0.00 -0.037 A ATOM 27 C LIG 1 4.015 -1.034 2.168 0.00 0.00 +0.005 A ATOM 28 C LIG 1 4.753 -1.514 1.082 0.00 0.00 +0.015 A BRANCH 23 29 ATOM 29 C LIG 1 4.845 -2.699 -1.156 0.00 0.00 +0.339 C ATOM 30 O LIG 1 4.303 -3.276 -2.085 0.00 0.00 -0.245 OA BRANCH 29 32 ATOM 31 C LIG 1 6.946 -2.912 -2.153 0.00 0.00 +0.280 C ATOM 32 O LIG 1 6.173 -2.441 -1.048 0.00 0.00 -0.464 OA ENDBRANCH 29 32 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 BRANCH 5 33 ATOM 33 S LIG 1 1.900 4.240 -0.747 0.00 0.00 -0.042 S BRANCH 33 34 ATOM 34 C LIG 1 0.757 5.498 -0.311 0.00 0.00 +0.141 A ATOM 35 S LIG 1 1.162 7.164 -0.414 0.00 0.00 -0.069 S ATOM 36 C LIG 1 -0.414 7.568 0.124 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -1.140 6.415 0.334 0.00 0.00 +0.120 A ATOM 38 N LIG 1 -0.470 5.233 0.084 0.00 0.00 -0.241 NA ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 12