REMARK Name = BDB026900 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.447 -1.656 -1.351 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.500 -2.529 -2.033 0.00 0.00 -0.023 A ATOM 3 C LIG 1 2.154 -2.157 -3.220 0.00 0.00 +0.005 A ATOM 4 C LIG 1 3.111 -2.992 -3.802 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.429 -4.211 -3.210 0.00 0.00 +0.000 A ATOM 6 C LIG 1 2.793 -4.598 -2.035 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.836 -3.765 -1.451 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.915 -1.161 0.041 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.278 -1.530 1.036 0.00 0.00 -0.290 OA BRANCH 8 15 ATOM 10 C LIG 1 5.320 1.722 4.479 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.413 1.180 3.411 0.00 0.00 -0.048 A ATOM 12 C LIG 1 4.633 1.511 2.066 0.00 0.00 +0.029 A ATOM 13 C LIG 1 3.778 0.961 1.101 0.00 0.00 +0.047 A ATOM 14 C LIG 1 2.731 0.094 1.418 0.00 0.00 +0.010 A ATOM 15 C LIG 1 2.075 -0.270 0.190 0.00 0.00 +0.044 A ATOM 16 C LIG 1 2.743 0.406 -0.816 0.00 0.00 +0.095 A ATOM 17 C LIG 1 2.538 -0.239 2.775 0.00 0.00 +0.011 A ATOM 18 N LIG 1 3.764 1.128 -0.261 0.00 0.00 -0.360 N ATOM 19 H LIG 1 4.410 1.712 -0.774 0.00 0.00 +0.165 HD ATOM 20 C LIG 1 3.381 0.302 3.754 0.00 0.00 +0.004 A ENDBRANCH 8 15 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 N LIG 1 -0.069 -0.561 -2.217 0.00 0.00 -0.303 NA ATOM 22 H LIG 1 -0.452 -0.993 -3.058 0.00 0.00 +0.123 HD BRANCH 21 23 ATOM 23 C LIG 1 -1.118 0.259 -1.590 0.00 0.00 +0.086 C BRANCH 23 24 ATOM 24 C LIG 1 -2.430 -0.483 -1.291 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 -3.474 0.446 -0.718 0.00 0.00 -0.046 A ATOM 26 C LIG 1 -4.435 1.038 -1.549 0.00 0.00 +0.005 A ATOM 27 C LIG 1 -5.388 1.909 -1.018 0.00 0.00 +0.029 A ATOM 28 C LIG 1 -5.382 2.186 0.352 0.00 0.00 +0.105 A ATOM 29 C LIG 1 -4.419 1.617 1.189 0.00 0.00 +0.029 A ATOM 30 C LIG 1 -3.470 0.746 0.653 0.00 0.00 +0.005 A BRANCH 28 31 ATOM 31 S LIG 1 -6.568 3.312 1.023 0.00 0.00 +0.056 S ATOM 32 O LIG 1 -6.046 3.887 2.240 0.00 0.00 -0.153 OA ATOM 33 O LIG 1 -7.115 4.120 -0.042 0.00 0.00 -0.153 OA BRANCH 31 34 ATOM 34 N LIG 1 -7.803 2.277 1.493 0.00 0.00 -0.204 NA ATOM 35 H LIG 1 -7.925 2.322 2.505 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 -8.650 2.487 0.965 0.00 0.00 +0.144 HD ENDBRANCH 31 34 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 9