REMARK Name = BDB006220 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.861 0.837 0.384 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.939 -0.198 0.937 0.00 0.00 +0.146 C ATOM 3 C LIG 1 -0.393 0.398 0.705 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -0.256 1.655 0.144 0.00 0.00 +0.154 A ATOM 5 N LIG 1 -1.406 2.300 0.013 0.00 0.00 -0.161 NA ATOM 6 N LIG 1 -2.338 1.346 0.347 0.00 0.00 -0.232 N ATOM 7 C LIG 1 -1.735 0.237 0.974 0.00 0.00 +0.054 A ATOM 8 C LIG 1 1.136 1.980 -0.081 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.559 3.023 -0.553 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 16 ATOM 10 N LIG 1 5.463 1.491 -0.168 0.00 0.00 -0.312 N ATOM 11 C LIG 1 6.117 0.421 0.449 0.00 0.00 +0.270 A ATOM 12 O LIG 1 7.336 0.268 0.436 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 5.215 -0.546 1.145 0.00 0.00 +0.107 A ATOM 14 CL LIG 1 5.926 -1.869 1.989 0.00 0.00 -0.078 Cl ATOM 15 C LIG 1 3.885 -0.378 1.120 0.00 0.00 +0.050 A ATOM 16 C LIG 1 3.255 0.731 0.416 0.00 0.00 +0.055 A ATOM 17 C LIG 1 4.080 1.612 -0.185 0.00 0.00 +0.112 A BRANCH 10 19 ATOM 18 C LIG 1 6.503 2.076 -2.333 0.00 0.00 +0.027 C ATOM 19 C LIG 1 6.269 2.480 -0.886 0.00 0.00 +0.121 C ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 2 20 ATOM 20 C LIG 1 0.933 -1.566 0.267 0.00 0.00 -0.019 A ATOM 21 C LIG 1 0.969 -1.815 -1.128 0.00 0.00 -0.044 A ATOM 22 C LIG 1 1.012 -0.732 -2.173 0.00 0.00 +0.044 C ATOM 23 C LIG 1 0.960 -3.148 -1.590 0.00 0.00 +0.023 A ATOM 24 C LIG 1 0.907 -4.220 -0.704 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.890 -5.832 -1.305 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.862 -3.992 0.662 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.874 -2.682 1.140 0.00 0.00 +0.007 A ENDBRANCH 2 20 BRANCH 6 28 ATOM 28 C LIG 1 -3.702 1.631 0.104 0.00 0.00 +0.107 A ATOM 29 C LIG 1 -4.536 0.718 -0.558 0.00 0.00 +0.145 A ATOM 30 C LIG 1 -5.886 1.048 -0.730 0.00 0.00 +0.048 A ATOM 31 C LIG 1 -6.378 2.286 -0.303 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -5.525 3.217 0.283 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -4.183 2.897 0.476 0.00 0.00 +0.031 A BRANCH 29 34 ATOM 34 O LIG 1 -3.953 -0.408 -1.072 0.00 0.00 -0.493 OA ATOM 35 C LIG 1 -4.709 -1.178 -1.999 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 6 28 BRANCH 7 36 ATOM 36 C LIG 1 -2.378 -0.790 1.873 0.00 0.00 +0.032 C ATOM 37 C LIG 1 -3.447 -0.224 2.806 0.00 0.00 +0.014 C ATOM 38 C LIG 1 -2.859 -2.047 1.158 0.00 0.00 +0.014 C ENDBRANCH 7 36 TORSDOF 6