REMARK Name = BDB060149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.080 -0.661 -1.593 0.00 0.00 -0.325 N ATOM 2 C LIG 1 1.256 -0.503 -0.459 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.427 0.388 0.590 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.516 0.377 1.648 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -0.555 -0.525 1.651 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.733 -1.431 0.600 0.00 0.00 +0.057 A ATOM 7 C LIG 1 0.185 -1.414 -0.441 0.00 0.00 -0.002 A ATOM 8 C LIG 1 0.298 -2.291 -1.645 0.00 0.00 +0.058 C ATOM 9 C LIG 1 1.243 -1.452 -2.513 0.00 0.00 +0.110 C ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 2.770 0.502 -2.148 0.00 0.00 +0.140 C BRANCH 10 13 ATOM 11 C LIG 1 5.771 2.363 -0.676 0.00 0.00 +0.123 A ATOM 12 C LIG 1 4.535 2.087 -1.274 0.00 0.00 +0.051 A ATOM 13 C LIG 1 4.095 0.766 -1.468 0.00 0.00 -0.024 A ATOM 14 C LIG 1 4.936 -0.281 -1.072 0.00 0.00 +0.043 A ATOM 15 C LIG 1 6.162 -0.001 -0.479 0.00 0.00 +0.127 A ATOM 16 F LIG 1 6.954 -1.012 -0.097 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.587 1.309 -0.275 0.00 0.00 +0.084 A BRANCH 11 19 ATOM 18 C LIG 1 7.304 4.029 0.049 0.00 0.00 +0.277 C ATOM 19 O LIG 1 6.056 3.695 -0.546 0.00 0.00 -0.495 OA ENDBRANCH 11 19 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 6 20 ATOM 20 N LIG 1 -1.881 -2.291 0.650 0.00 0.00 -0.192 N BRANCH 20 21 ATOM 21 S LIG 1 -3.270 -1.780 -0.179 0.00 0.00 +0.076 S ATOM 22 O LIG 1 -4.306 -2.749 0.145 0.00 0.00 -0.150 OA ATOM 23 O LIG 1 -2.931 -1.579 -1.569 0.00 0.00 -0.150 OA BRANCH 21 24 ATOM 24 C LIG 1 -3.699 -0.216 0.608 0.00 0.00 +0.115 A ATOM 25 C LIG 1 -4.289 -0.232 1.900 0.00 0.00 -0.023 A ATOM 26 C LIG 1 -4.577 -1.486 2.684 0.00 0.00 +0.046 C ATOM 27 C LIG 1 -4.660 0.986 2.499 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -4.434 2.208 1.865 0.00 0.00 -0.050 A ATOM 29 C LIG 1 -4.865 3.493 2.510 0.00 0.00 +0.044 C ATOM 30 C LIG 1 -3.855 2.212 0.596 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -3.474 1.019 -0.049 0.00 0.00 -0.023 A ATOM 32 C LIG 1 -2.854 1.160 -1.414 0.00 0.00 +0.046 C ENDBRANCH 21 24 ENDBRANCH 20 21 BRANCH 20 33 ATOM 33 C LIG 1 -1.646 -3.748 0.757 0.00 0.00 +0.251 C BRANCH 33 34 ATOM 34 C LIG 1 -1.880 -4.632 -0.449 0.00 0.00 +0.324 C ATOM 35 O LIG 1 -0.974 -5.146 -1.092 0.00 0.00 -0.249 OA BRANCH 34 36 ATOM 36 O LIG 1 -3.176 -4.872 -0.751 0.00 0.00 -0.479 OA ATOM 37 H LIG 1 -3.834 -4.333 -0.248 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 20 33 ENDBRANCH 6 20 TORSDOF 9