REMARK Name = BDB026827 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.156 -0.869 1.521 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.097 -1.854 0.359 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.868 -1.444 -0.965 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.815 -2.380 -2.000 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.974 -3.737 -1.727 0.00 0.00 +0.000 A ATOM 6 C LIG 1 1.180 -4.162 -0.417 0.00 0.00 +0.000 A ATOM 7 C LIG 1 1.237 -3.228 0.619 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 1.664 0.558 1.164 0.00 0.00 +0.186 C ATOM 9 O LIG 1 0.949 1.547 1.360 0.00 0.00 -0.290 OA BRANCH 8 17 ATOM 10 C LIG 1 6.339 -0.443 -0.316 0.00 0.00 +0.149 C ATOM 11 N LIG 1 5.124 0.286 -0.022 0.00 0.00 -0.349 N ATOM 12 C LIG 1 4.940 1.632 -0.243 0.00 0.00 +0.050 A ATOM 13 C LIG 1 3.638 1.936 0.166 0.00 0.00 +0.010 A ATOM 14 C LIG 1 3.193 3.271 0.042 0.00 0.00 +0.011 A ATOM 15 C LIG 1 4.048 4.248 -0.478 0.00 0.00 +0.001 A ATOM 16 C LIG 1 5.338 3.917 -0.876 0.00 0.00 +0.002 A ATOM 17 C LIG 1 3.031 0.722 0.641 0.00 0.00 +0.045 A ATOM 18 C LIG 1 5.808 2.605 -0.767 0.00 0.00 +0.026 A ATOM 19 C LIG 1 3.992 -0.267 0.514 0.00 0.00 +0.098 A ENDBRANCH 8 17 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 N LIG 1 -0.112 -0.817 2.311 0.00 0.00 -0.303 NA ATOM 21 H LIG 1 -0.016 -0.026 2.954 0.00 0.00 +0.123 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.312 -0.586 1.494 0.00 0.00 +0.086 C BRANCH 22 23 ATOM 23 C LIG 1 -2.523 -0.304 2.397 0.00 0.00 +0.050 C BRANCH 23 24 ATOM 24 C LIG 1 -3.776 -0.061 1.588 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -4.615 -1.130 1.243 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -5.764 -0.910 0.482 0.00 0.00 +0.029 A ATOM 27 C LIG 1 -6.067 0.384 0.054 0.00 0.00 +0.105 A ATOM 28 C LIG 1 -5.246 1.461 0.394 0.00 0.00 +0.029 A ATOM 29 C LIG 1 -4.098 1.235 1.155 0.00 0.00 +0.005 A BRANCH 27 30 ATOM 30 S LIG 1 -7.525 0.657 -0.916 0.00 0.00 +0.056 S ATOM 31 O LIG 1 -8.499 -0.353 -0.578 0.00 0.00 -0.153 OA ATOM 32 O LIG 1 -7.831 2.069 -0.904 0.00 0.00 -0.153 OA BRANCH 30 33 ATOM 33 N LIG 1 -6.957 0.332 -2.469 0.00 0.00 -0.204 NA ATOM 34 H LIG 1 -6.023 -0.076 -2.474 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 -7.001 1.191 -3.019 0.00 0.00 +0.144 HD ENDBRANCH 30 33 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9