REMARK Name = BDB052006 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.953 1.596 -0.092 0.00 0.00 +0.117 A ATOM 2 C LIG 1 -1.982 0.253 -0.426 0.00 0.00 +0.165 A ATOM 3 O LIG 1 -0.695 -0.113 -0.733 0.00 0.00 -0.436 OA ATOM 4 C LIG 1 0.037 1.034 -0.586 0.00 0.00 +0.235 A ATOM 5 N LIG 1 -0.673 2.089 -0.238 0.00 0.00 -0.210 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -2.973 -0.800 -0.561 0.00 0.00 +0.038 A ATOM 7 C LIG 1 -2.675 -2.125 -0.235 0.00 0.00 +0.023 A ATOM 8 C LIG 1 -3.646 -3.128 -0.373 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -4.920 -2.758 -0.853 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -5.884 -3.748 -0.989 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -5.618 -5.082 -0.664 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -4.361 -5.443 -0.192 0.00 0.00 +0.001 A ATOM 13 N LIG 1 -5.221 -1.490 -1.180 0.00 0.00 -0.254 NA ATOM 14 C LIG 1 -3.375 -4.469 -0.046 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -4.255 -0.549 -1.034 0.00 0.00 +0.123 A ENDBRANCH 2 6 BRANCH 1 19 ATOM 16 C LIG 1 -5.169 4.111 1.152 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -4.210 4.575 0.253 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -3.158 3.740 -0.146 0.00 0.00 +0.014 A ATOM 19 C LIG 1 -3.057 2.431 0.340 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -4.010 1.977 1.257 0.00 0.00 +0.014 A ATOM 21 C LIG 1 -5.061 2.811 1.652 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 -6.394 6.147 1.144 0.00 0.00 +0.277 C ATOM 23 O LIG 1 -6.242 4.816 1.621 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 1 19 BRANCH 4 24 ATOM 24 C LIG 1 1.494 0.938 -0.873 0.00 0.00 +0.324 C BRANCH 24 25 ATOM 25 O LIG 1 2.072 0.116 0.142 0.00 0.00 -0.483 OA BRANCH 25 26 ATOM 26 C LIG 1 3.414 -0.126 0.057 0.00 0.00 +0.122 A ATOM 27 C LIG 1 3.920 -0.960 1.056 0.00 0.00 +0.052 A ATOM 28 C LIG 1 5.281 -1.300 1.099 0.00 0.00 -0.005 A ATOM 29 C LIG 1 5.791 -2.201 2.191 0.00 0.00 +0.047 C ATOM 30 C LIG 1 6.151 -0.790 0.121 0.00 0.00 +0.124 A ATOM 31 C LIG 1 5.644 0.046 -0.877 0.00 0.00 +0.049 A ATOM 32 C LIG 1 4.282 0.377 -0.909 0.00 0.00 +0.049 A BRANCH 30 33 ATOM 33 O LIG 1 7.461 -1.171 0.238 0.00 0.00 -0.481 OA BRANCH 33 34 ATOM 34 C LIG 1 8.382 -0.668 -0.720 0.00 0.00 +0.349 C BRANCH 34 35 ATOM 35 C LIG 1 9.777 -1.188 -0.427 0.00 0.00 +0.343 C ATOM 36 O LIG 1 10.134 -1.930 0.472 0.00 0.00 -0.247 OA BRANCH 35 37 ATOM 37 O LIG 1 10.684 -0.728 -1.319 0.00 0.00 -0.478 OA ATOM 38 H LIG 1 11.526 -1.133 -1.017 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 10