REMARK Name = BDB061623 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.804 -1.967 1.608 0.00 0.00 +0.028 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.075 -0.645 1.861 0.00 0.00 +0.037 C BRANCH 2 9 ATOM 3 C LIG 1 -4.854 -1.470 2.344 0.00 0.00 +0.047 C ATOM 4 C LIG 1 -3.709 -1.039 1.473 0.00 0.00 -0.008 A ATOM 5 C LIG 1 -3.884 -0.647 0.135 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.772 -0.369 -0.676 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -2.896 -0.059 -2.139 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.494 -0.349 -0.095 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -1.309 -0.652 1.258 0.00 0.00 -0.047 A ATOM 10 C LIG 1 -2.420 -1.010 2.028 0.00 0.00 +0.010 A BRANCH 5 11 ATOM 11 O LIG 1 -5.139 -0.628 -0.416 0.00 0.00 -0.475 OA BRANCH 11 12 ATOM 12 C LIG 1 -5.870 0.601 -0.249 0.00 0.00 +0.200 C ATOM 13 C LIG 1 -6.159 1.154 -1.657 0.00 0.00 +0.067 C ATOM 14 C LIG 1 -7.238 0.211 0.346 0.00 0.00 +0.067 C BRANCH 12 15 ATOM 15 C LIG 1 -5.282 1.738 0.630 0.00 0.00 +0.348 C ATOM 16 O LIG 1 -5.566 1.983 1.794 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 -4.354 2.494 0.004 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -4.022 3.087 0.711 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 11 12 ENDBRANCH 5 11 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.159 -2.032 2.310 0.00 0.00 +0.149 C BRANCH 19 20 ATOM 20 N LIG 1 3.110 -1.079 1.788 0.00 0.00 -0.213 N ATOM 21 C LIG 1 3.871 -1.221 0.618 0.00 0.00 +0.351 A ATOM 22 O LIG 1 3.866 -2.206 -0.106 0.00 0.00 -0.244 OA ATOM 23 N LIG 1 4.571 -0.031 0.496 0.00 0.00 -0.250 N ATOM 24 C LIG 1 4.168 0.710 1.554 0.00 0.00 +0.230 A ATOM 25 N LIG 1 3.305 0.154 2.347 0.00 0.00 -0.157 NA BRANCH 23 26 ATOM 26 C LIG 1 5.490 0.340 -0.517 0.00 0.00 +0.052 A ATOM 27 C LIG 1 5.815 -0.529 -1.568 0.00 0.00 +0.027 A ATOM 28 C LIG 1 6.724 -0.162 -2.570 0.00 0.00 +0.014 A ATOM 29 C LIG 1 7.335 1.096 -2.555 0.00 0.00 +0.055 A ATOM 30 C LIG 1 7.027 1.969 -1.507 0.00 0.00 +0.014 A ATOM 31 C LIG 1 6.117 1.597 -0.506 0.00 0.00 +0.027 A BRANCH 29 32 ATOM 32 C LIG 1 8.331 1.486 -3.619 0.00 0.00 +0.417 C ATOM 33 F LIG 1 8.101 0.881 -4.818 0.00 0.00 -0.166 F ATOM 34 F LIG 1 8.340 2.824 -3.874 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.608 1.162 -3.274 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10