REMARK Name = BDB020909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.605 2.452 -0.404 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.828 2.188 -0.619 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.641 3.247 -0.808 0.00 0.00 +0.098 A ATOM 4 N LIG 1 1.182 4.553 -0.816 0.00 0.00 -0.318 N ATOM 5 C LIG 1 2.138 5.624 -1.047 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -0.159 4.868 -0.634 0.00 0.00 +0.252 A ATOM 7 O LIG 1 -0.626 6.003 -0.645 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -1.065 3.716 -0.407 0.00 0.00 +0.079 A ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 -2.487 -0.335 1.333 0.00 0.00 -0.002 A ATOM 10 C LIG 1 -3.413 -0.686 0.335 0.00 0.00 +0.165 A ATOM 11 C LIG 1 -3.483 0.032 -0.875 0.00 0.00 +0.162 A ATOM 12 C LIG 1 -2.566 1.063 -1.106 0.00 0.00 +0.058 A ATOM 13 C LIG 1 -1.609 1.398 -0.136 0.00 0.00 -0.013 A ATOM 14 C LIG 1 -1.585 0.708 1.081 0.00 0.00 +0.016 A BRANCH 9 16 ATOM 15 C LIG 1 -1.442 -2.262 2.555 0.00 0.00 +0.009 C ATOM 16 C LIG 1 -2.402 -1.084 2.641 0.00 0.00 +0.035 C ENDBRANCH 9 16 BRANCH 10 17 ATOM 17 O LIG 1 -4.277 -1.716 0.623 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -4.120 -2.815 -0.277 0.00 0.00 +0.277 C ENDBRANCH 10 17 BRANCH 11 19 ATOM 19 O LIG 1 -4.464 -0.340 -1.757 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -4.649 0.459 -2.917 0.00 0.00 +0.277 C ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 2 21 ATOM 21 C LIG 1 1.353 0.855 -0.627 0.00 0.00 +0.022 A ATOM 22 C LIG 1 2.400 0.383 0.134 0.00 0.00 +0.123 A ATOM 23 N LIG 1 2.549 -0.962 -0.158 0.00 0.00 -0.238 N ATOM 24 N LIG 1 1.664 -1.343 -1.104 0.00 0.00 -0.174 NA ATOM 25 C LIG 1 0.940 -0.259 -1.373 0.00 0.00 +0.143 A BRANCH 23 26 ATOM 26 C LIG 1 3.483 -1.887 0.406 0.00 0.00 +0.083 A ATOM 27 C LIG 1 3.505 -3.252 0.046 0.00 0.00 +0.077 A ATOM 28 C LIG 1 4.456 -4.105 0.642 0.00 0.00 +0.021 A ATOM 29 C LIG 1 5.370 -3.628 1.579 0.00 0.00 +0.001 A ATOM 30 C LIG 1 5.348 -2.287 1.936 0.00 0.00 +0.002 A ATOM 31 C LIG 1 4.415 -1.422 1.357 0.00 0.00 +0.029 A BRANCH 27 32 ATOM 32 C LIG 1 2.615 -3.882 -0.896 0.00 0.00 +0.101 C ATOM 33 N LIG 1 1.954 -4.494 -1.630 0.00 0.00 -0.191 NA ENDBRANCH 27 32 ENDBRANCH 23 26 ENDBRANCH 2 21 TORSDOF 7