REMARK Name = BDB035799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.015 -0.630 1.005 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.191 -0.879 1.669 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.422 -1.324 2.778 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.272 -0.494 0.753 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.639 -0.552 0.959 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.477 -0.123 -0.078 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.906 0.355 -1.284 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.512 0.410 -1.476 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.708 -0.028 -0.429 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.217 -0.090 -0.330 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.788 -0.764 1.177 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.457 -0.557 0.736 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.323 -0.853 1.515 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.540 -1.371 2.792 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.834 -1.588 3.269 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.937 -1.290 2.471 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.723 0.912 -0.111 0.00 0.00 -0.009 C ATOM 18 C LIG 1 -6.469 -0.297 0.825 0.00 0.00 +0.023 C ATOM 19 C LIG 1 -5.028 -0.418 0.218 0.00 0.00 +0.056 C ATOM 20 C LIG 1 -5.188 1.102 -0.153 0.00 0.00 +0.023 C BRANCH 19 21 ATOM 21 C LIG 1 -4.991 -1.369 -1.057 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.065 -2.735 -1.082 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.190 -3.639 0.027 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.963 -3.092 -2.392 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.830 -2.016 -3.131 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.841 -0.930 -2.290 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -8.983 1.715 0.598 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -7.515 2.083 0.454 0.00 0.00 +0.000 C ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.910 0.921 -2.757 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.073 1.974 -2.547 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.163 -0.028 -3.385 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.827 1.343 -3.669 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.981 -0.155 0.085 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.515 1.207 0.114 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 6.117 1.696 0.916 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.983 1.238 0.069 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.474 0.899 -1.367 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.368 2.154 -1.291 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.389 2.711 -0.235 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.678 0.601 1.258 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8