REMARK Name = BDB006158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.530 -0.082 -0.149 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.737 1.392 -0.331 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -0.499 2.091 -0.424 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.320 3.300 -0.467 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.515 1.061 -0.397 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.836 1.045 -0.448 0.00 0.00 -0.157 NA ATOM 7 N LIG 1 2.163 -0.296 -0.318 0.00 0.00 -0.186 N ATOM 8 C LIG 1 0.997 -1.084 -0.148 0.00 0.00 +0.058 A ATOM 9 C LIG 1 3.527 -0.704 -0.458 0.00 0.00 +0.342 C ATOM 10 N LIG 1 4.466 0.316 -0.264 0.00 0.00 -0.255 N ATOM 11 C LIG 1 5.697 0.219 -1.036 0.00 0.00 +0.140 C ATOM 12 O LIG 1 3.780 -1.839 -0.846 0.00 0.00 -0.247 OA ATOM 13 C LIG 1 -0.047 -0.189 -0.224 0.00 0.00 +0.032 A ENDROOT BRANCH 1 16 ATOM 14 C LIG 1 -3.304 -2.447 0.406 0.00 0.00 +0.044 C ATOM 15 C LIG 1 -2.886 -2.082 -0.994 0.00 0.00 -0.044 A ATOM 16 C LIG 1 -2.068 -0.958 -1.269 0.00 0.00 -0.019 A ATOM 17 C LIG 1 -1.757 -0.671 -2.619 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -2.226 -1.473 -3.661 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -3.018 -2.576 -3.374 0.00 0.00 +0.041 A ATOM 20 CL LIG 1 -3.600 -3.568 -4.653 0.00 0.00 -0.084 Cl ATOM 21 C LIG 1 -3.350 -2.880 -2.056 0.00 0.00 +0.023 A ENDBRANCH 1 16 BRANCH 2 22 ATOM 22 C LIG 1 -2.837 1.994 0.348 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -4.160 1.863 -0.118 0.00 0.00 -0.029 A ATOM 24 C LIG 1 -4.519 1.223 -1.428 0.00 0.00 +0.045 C ATOM 25 C LIG 1 -5.214 2.391 0.653 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.963 3.077 1.841 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -3.653 3.245 2.269 0.00 0.00 +0.043 A ATOM 28 CL LIG 1 -3.336 4.094 3.732 0.00 0.00 -0.083 Cl ATOM 29 C LIG 1 -2.596 2.714 1.532 0.00 0.00 +0.043 A ENDBRANCH 2 22 BRANCH 10 30 ATOM 30 C LIG 1 4.488 1.161 0.901 0.00 0.00 +0.038 A ATOM 31 C LIG 1 5.245 2.342 0.910 0.00 0.00 +0.023 A ATOM 32 C LIG 1 5.293 3.161 2.044 0.00 0.00 +0.002 A ATOM 33 C LIG 1 4.592 2.806 3.192 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.846 1.632 3.208 0.00 0.00 +0.002 A ATOM 35 C LIG 1 3.797 0.815 2.074 0.00 0.00 +0.023 A ENDBRANCH 10 30 BRANCH 8 36 ATOM 36 C LIG 1 0.926 -2.567 0.103 0.00 0.00 +0.032 C ATOM 37 C LIG 1 1.798 -3.040 1.264 0.00 0.00 +0.014 C ATOM 38 C LIG 1 1.107 -3.400 -1.163 0.00 0.00 +0.014 C ENDBRANCH 8 36 TORSDOF 4