REMARK Name = BDB005863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.832 -0.709 1.190 0.00 0.00 +0.154 A ATOM 2 N LIG 1 -0.797 0.184 0.941 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -1.362 1.425 0.674 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -2.721 1.144 0.548 0.00 0.00 +0.094 A ATOM 5 C LIG 1 -3.626 2.129 0.161 0.00 0.00 +0.061 A ATOM 6 C LIG 1 -3.079 3.375 -0.059 0.00 0.00 +0.112 A ATOM 7 N LIG 1 -1.769 3.691 0.107 0.00 0.00 -0.241 NA ATOM 8 C LIG 1 -0.886 2.734 0.506 0.00 0.00 +0.099 A ATOM 9 N LIG 1 -2.991 -0.149 0.887 0.00 0.00 -0.228 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.940 4.492 -0.481 0.00 0.00 +0.201 A ATOM 11 N LIG 1 -3.397 5.703 -0.659 0.00 0.00 -0.270 N ATOM 12 H LIG 1 -2.432 5.957 -0.527 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -4.388 6.522 -1.033 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -4.282 7.711 -1.285 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.553 5.794 -1.087 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.210 4.453 -0.713 0.00 0.00 -0.053 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 0.464 3.205 0.770 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.235 3.816 -0.230 0.00 0.00 +0.033 A ATOM 19 C LIG 1 2.519 4.267 0.059 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 3.485 4.990 -1.160 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 3.001 4.109 1.349 0.00 0.00 +0.130 A ATOM 22 N LIG 1 2.286 3.544 2.351 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 1.034 3.127 2.041 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 24 ATOM 24 C LIG 1 -1.653 -2.094 1.807 0.00 0.00 +0.207 C ATOM 25 F LIG 1 -0.737 -1.962 2.827 0.00 0.00 -0.227 F ATOM 26 C LIG 1 -2.956 -2.540 2.487 0.00 0.00 +0.063 C BRANCH 24 29 ATOM 27 C LIG 1 0.342 -4.330 2.416 0.00 0.00 +0.046 C ATOM 28 C LIG 1 -0.354 -4.207 1.091 0.00 0.00 -0.026 A ATOM 29 C LIG 1 -1.258 -3.174 0.783 0.00 0.00 +0.088 A ATOM 30 N LIG 1 -1.879 -3.119 -0.431 0.00 0.00 -0.256 NA ATOM 31 C LIG 1 -1.603 -4.067 -1.349 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -0.718 -5.100 -1.133 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -0.086 -5.167 0.102 0.00 0.00 +0.007 A ENDBRANCH 24 29 ENDBRANCH 1 24 BRANCH 2 34 ATOM 34 C LIG 1 0.622 -0.142 0.962 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.367 0.052 -0.378 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.936 -0.949 -1.467 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.864 -2.157 -1.546 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.312 -1.755 -1.882 0.00 0.00 -0.014 C ATOM 39 C LIG 1 3.592 -1.874 -3.381 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.658 -0.340 -1.388 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.887 0.007 -0.121 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6