REMARK Name = BDB061567 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.274 -0.928 -1.350 0.00 0.00 +0.094 A ATOM 2 C LIG 1 0.193 -0.118 -2.374 0.00 0.00 +0.110 A ATOM 3 C LIG 1 1.566 -0.101 -2.546 0.00 0.00 +0.126 A ATOM 4 N LIG 1 2.405 -0.840 -1.791 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 1.868 -1.571 -0.812 0.00 0.00 +0.190 A ATOM 6 N LIG 1 0.556 -1.642 -0.553 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.973 -1.699 -1.593 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -4.408 -1.380 -0.302 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -3.503 -0.878 0.644 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.157 -0.740 0.284 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -1.698 -1.083 -1.005 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -2.625 -1.584 -1.931 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -5.623 -1.153 -3.096 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -4.819 -2.200 -2.548 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -5.737 -1.505 0.023 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -5.996 -2.827 0.496 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.021 -0.570 1.875 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.149 0.021 2.827 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -0.686 0.677 -3.168 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -1.408 1.321 -3.808 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 2.360 0.892 -3.804 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 3.241 1.989 -2.756 0.00 0.00 +0.141 A ATOM 23 S LIG 1 2.514 2.903 -1.492 0.00 0.00 -0.069 S ATOM 24 C LIG 1 4.033 3.619 -1.153 0.00 0.00 +0.067 A ATOM 25 C LIG 1 4.977 3.140 -2.035 0.00 0.00 +0.120 A ATOM 26 N LIG 1 4.519 2.222 -2.959 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 2.976 -2.530 0.174 0.00 0.00 -0.081 S BRANCH 27 28 ATOM 28 C LIG 1 2.482 -1.942 1.820 0.00 0.00 +0.112 C BRANCH 28 29 ATOM 29 C LIG 1 2.689 -0.461 2.035 0.00 0.00 -0.037 A ATOM 30 C LIG 1 3.972 0.106 1.976 0.00 0.00 +0.007 A ATOM 31 C LIG 1 4.165 1.480 2.182 0.00 0.00 -0.050 A ATOM 32 C LIG 1 5.547 2.057 2.100 0.00 0.00 +0.044 C ATOM 33 C LIG 1 3.059 2.291 2.455 0.00 0.00 +0.003 A ATOM 34 C LIG 1 1.781 1.738 2.521 0.00 0.00 +0.001 A ATOM 35 C LIG 1 1.597 0.371 2.316 0.00 0.00 +0.004 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 10