REMARK Name = BDB036033 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.800 -1.119 1.476 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.034 -0.101 1.001 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.223 0.981 0.507 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.417 -0.546 1.213 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.595 0.104 0.895 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.806 -0.536 1.198 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.785 -1.810 1.814 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.576 -2.459 2.133 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.393 -1.796 1.818 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.024 -2.220 2.030 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.384 -0.069 0.837 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.967 -0.099 0.860 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.223 -1.126 1.463 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.934 -2.175 2.058 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.328 -2.185 2.063 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.037 -1.145 1.465 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.176 1.141 0.126 0.00 0.00 +0.056 C ATOM 18 C LIG 1 6.660 1.418 0.550 0.00 0.00 +0.026 C ATOM 19 C LIG 1 6.302 2.854 0.525 0.00 0.00 -0.027 C ATOM 20 C LIG 1 6.906 3.897 -0.362 0.00 0.00 +0.007 C ATOM 21 C LIG 1 7.066 3.982 1.133 0.00 0.00 +0.007 C ATOM 22 C LIG 1 4.855 2.575 0.680 0.00 0.00 +0.026 C BRANCH 17 25 ATOM 23 C LIG 1 5.962 -1.262 -1.902 0.00 0.00 +0.151 C ATOM 24 N LIG 1 5.374 -0.006 -2.272 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.021 1.038 -1.461 0.00 0.00 +0.144 A ATOM 26 N LIG 1 4.515 1.998 -2.210 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 4.543 1.582 -3.520 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 5.056 0.375 -3.539 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.553 -3.816 2.781 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.951 -4.751 1.994 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.858 -3.817 3.952 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.787 -4.307 3.074 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.123 0.138 0.866 0.00 0.00 +0.119 C BRANCH 33 34 ATOM 34 N LIG 1 -5.317 0.356 -0.576 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 -6.444 1.266 -0.851 0.00 0.00 +0.097 C ATOM 36 C LIG 1 -7.695 0.557 -1.373 0.00 0.00 +0.107 C ATOM 37 C LIG 1 -7.388 -0.191 -2.678 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -5.950 -0.709 -2.729 0.00 0.00 +0.016 C ATOM 39 C LIG 1 -5.372 -0.907 -1.329 0.00 0.00 +0.085 C BRANCH 36 40 ATOM 40 C LIG 1 -8.825 1.550 -1.561 0.00 0.00 +0.394 C ATOM 41 F LIG 1 -8.510 2.512 -2.452 0.00 0.00 -0.170 F ATOM 42 F LIG 1 -9.943 0.929 -2.001 0.00 0.00 -0.170 F ATOM 43 F LIG 1 -9.136 2.155 -0.393 0.00 0.00 -0.170 F ENDBRANCH 36 40 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7