REMARK Name = BDB057924 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.791 -4.088 -0.434 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.327 -2.932 -1.206 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.562 -1.921 -1.867 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.459 -1.034 -2.466 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.018 0.077 -3.208 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.358 0.286 -3.335 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.276 -0.576 -2.735 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.735 -1.485 -2.171 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.825 -1.690 -2.011 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.667 -2.643 -1.418 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.876 -3.376 -0.943 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.728 -0.293 -2.908 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.559 -0.738 -1.902 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.148 -1.023 -1.024 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.122 0.335 -3.884 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.982 -0.439 -1.899 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -5.738 -1.280 -2.933 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.533 -0.626 -0.494 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -5.878 0.503 0.274 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -6.369 0.390 1.588 0.00 0.00 -0.042 A ATOM 21 C LIG 1 -6.500 -0.907 2.117 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.152 -2.037 1.374 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.667 -1.897 0.077 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -6.756 1.613 2.440 0.00 0.00 -0.013 C ATOM 25 C LIG 1 -6.556 2.966 1.721 0.00 0.00 +0.015 C ATOM 26 C LIG 1 -8.246 1.521 2.833 0.00 0.00 +0.015 C ATOM 27 C LIG 1 -5.894 1.645 3.721 0.00 0.00 +0.015 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 3.969 -0.855 -2.644 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 4.695 -0.092 -1.561 0.00 0.00 -0.028 A ATOM 30 C LIG 1 6.055 -0.336 -1.325 0.00 0.00 +0.006 A ATOM 31 C LIG 1 6.747 0.373 -0.338 0.00 0.00 +0.009 A ATOM 32 C LIG 1 6.100 1.350 0.433 0.00 0.00 -0.017 A ATOM 33 C LIG 1 4.745 1.605 0.182 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.051 0.896 -0.804 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 6.830 2.096 1.470 0.00 0.00 -0.004 A ATOM 36 C LIG 1 7.316 1.500 2.651 0.00 0.00 +0.067 A ATOM 37 C LIG 1 8.080 2.236 3.571 0.00 0.00 +0.015 A ATOM 38 C LIG 1 8.340 3.585 3.342 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.846 4.199 2.194 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.103 3.462 1.267 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 7.068 0.085 2.985 0.00 0.00 +0.337 C ATOM 42 O LIG 1 7.913 -0.730 3.301 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 5.755 -0.198 2.991 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 5.706 -1.146 3.229 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9