REMARK Name = BDB009987 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.569 -0.734 -0.567 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.530 -1.559 -0.141 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.802 -2.652 0.662 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.328 -3.327 1.003 0.00 0.00 -0.205 NA ATOM 5 C LIG 1 1.318 -2.685 0.413 0.00 0.00 +0.180 A ATOM 6 N LIG 1 -2.030 -3.017 1.065 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.977 -2.192 0.578 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.838 -1.621 -0.335 0.00 0.00 -0.313 N ATOM 9 N LIG 1 -2.811 -1.106 -0.200 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.698 -3.061 0.561 0.00 0.00 +0.177 A ATOM 11 N LIG 1 3.152 -4.217 1.156 0.00 0.00 -0.331 N ATOM 12 C LIG 1 2.355 -5.282 1.716 0.00 0.00 +0.150 C ATOM 13 C LIG 1 4.522 -4.198 1.123 0.00 0.00 +0.107 A ATOM 14 C LIG 1 4.849 -3.015 0.510 0.00 0.00 +0.131 A ATOM 15 N LIG 1 3.718 -2.320 0.169 0.00 0.00 -0.233 NA ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.369 0.408 -1.326 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.507 0.884 -1.091 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -2.363 1.903 -2.932 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.490 1.337 -1.513 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -2.417 2.497 -0.502 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -2.650 2.188 1.006 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.131 2.545 0.795 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -3.685 3.396 -0.408 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -4.382 -2.548 0.986 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -5.394 -1.944 0.677 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.393 -3.663 1.772 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -3.473 -3.991 1.903 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.600 -0.821 -1.290 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 1.952 0.563 -0.788 0.00 0.00 -0.028 A ATOM 30 C LIG 1 1.901 1.647 -1.680 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.220 2.939 -1.258 0.00 0.00 +0.013 A ATOM 32 C LIG 1 2.613 3.179 0.066 0.00 0.00 +0.055 A ATOM 33 C LIG 1 2.704 2.094 0.948 0.00 0.00 +0.013 A ATOM 34 C LIG 1 2.382 0.801 0.524 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 2.982 4.572 0.516 0.00 0.00 +0.417 C ATOM 36 F LIG 1 2.253 5.540 -0.108 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.287 4.868 0.270 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.796 4.771 1.851 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9