REMARK Name = BDB011847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.601 1.700 0.725 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -0.816 0.273 1.237 0.00 0.00 +0.108 C ATOM 3 C LIG 1 0.228 -0.262 2.218 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -1.084 -0.654 0.141 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -2.441 -0.953 -0.143 0.00 0.00 +0.223 C ATOM 6 O LIG 1 -2.906 -0.874 -1.284 0.00 0.00 -0.275 OA ATOM 7 C LIG 1 -0.109 -0.800 -0.926 0.00 0.00 +0.058 A ATOM 8 C LIG 1 1.059 -0.018 -1.165 0.00 0.00 +0.058 A ATOM 9 C LIG 1 1.770 -0.323 -2.357 0.00 0.00 +0.025 A ATOM 10 C LIG 1 1.472 -1.389 -3.207 0.00 0.00 +0.002 A ATOM 11 C LIG 1 0.413 -2.208 -2.905 0.00 0.00 +0.002 A ATOM 12 N LIG 1 1.589 1.091 -0.377 0.00 0.00 -0.264 N ATOM 13 C LIG 1 -0.359 -1.908 -1.790 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.851 1.966 0.413 0.00 0.00 +0.242 C ATOM 15 O LIG 1 1.341 3.015 0.855 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 16 ATOM 16 C LIG 1 -3.335 -1.405 1.031 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -4.781 -1.660 0.570 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -4.924 -2.982 -0.174 0.00 0.00 +0.160 C ATOM 19 O LIG 1 -4.424 -4.058 0.620 0.00 0.00 -0.380 OA ATOM 20 C LIG 1 -3.035 -3.915 0.895 0.00 0.00 +0.160 C ATOM 21 C LIG 1 -2.776 -2.658 1.716 0.00 0.00 +0.041 C ENDBRANCH 5 16 BRANCH 1 23 ATOM 22 C LIG 1 -2.806 2.346 -0.187 0.00 0.00 +0.230 C ATOM 23 N LIG 1 -1.465 2.104 -0.389 0.00 0.00 -0.301 N ATOM 24 H LIG 1 -1.174 1.836 -1.322 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 -3.312 2.256 0.933 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 -3.635 2.656 -1.464 0.00 0.00 +0.137 C ATOM 27 C LIG 1 -2.920 3.594 -2.436 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 -5.009 4.510 -0.579 0.00 0.00 +0.101 C ATOM 29 N LIG 1 -4.989 3.142 -1.091 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 -5.322 2.526 -0.343 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 12 31 ATOM 31 C LIG 1 3.049 1.433 -0.480 0.00 0.00 +0.153 C BRANCH 31 32 ATOM 32 C LIG 1 4.012 0.363 0.047 0.00 0.00 +0.020 A ATOM 33 C LIG 1 4.113 0.079 1.450 0.00 0.00 -0.010 A ATOM 34 C LIG 1 4.916 -1.009 1.876 0.00 0.00 -0.017 A ATOM 35 C LIG 1 5.011 -1.343 3.238 0.00 0.00 +0.008 A ATOM 36 C LIG 1 4.351 -0.594 4.209 0.00 0.00 +0.001 A ATOM 37 C LIG 1 3.600 0.505 3.826 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.640 -1.749 0.940 0.00 0.00 +0.012 A ATOM 39 C LIG 1 5.628 -1.403 -0.408 0.00 0.00 +0.046 A ATOM 40 C LIG 1 3.490 0.837 2.472 0.00 0.00 +0.009 A ATOM 41 C LIG 1 4.846 -0.338 -0.858 0.00 0.00 +0.125 A BRANCH 41 42 ATOM 42 O LIG 1 4.854 0.103 -2.157 0.00 0.00 -0.495 OA ATOM 43 C LIG 1 5.811 -0.460 -3.047 0.00 0.00 +0.277 C ENDBRANCH 41 42 ENDBRANCH 31 32 ENDBRANCH 12 31 TORSDOF 7