REMARK Name = BDB006664 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.660 -0.531 -0.462 0.00 0.00 -0.222 N ATOM 2 C LIG 1 1.349 -0.379 -0.106 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.074 -0.967 -0.346 0.00 0.00 +0.272 C ATOM 4 N LIG 1 -0.834 -0.245 0.496 0.00 0.00 -0.238 N ATOM 5 C LIG 1 -0.122 0.815 1.267 0.00 0.00 +0.147 C ATOM 6 O LIG 1 -0.162 -1.897 -1.097 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.265 0.613 0.825 0.00 0.00 +0.031 A ATOM 8 C LIG 1 2.570 1.040 1.044 0.00 0.00 +0.066 A ATOM 9 C LIG 1 3.073 2.086 1.964 0.00 0.00 +0.068 C ATOM 10 N LIG 1 3.420 0.347 0.273 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.179 -0.558 0.626 0.00 0.00 +0.150 A ATOM 12 N LIG 1 -2.688 -1.485 -0.123 0.00 0.00 -0.148 NA ATOM 13 N LIG 1 -4.012 -1.706 0.080 0.00 0.00 -0.195 N ATOM 14 C LIG 1 -4.843 -1.063 0.968 0.00 0.00 +0.181 A ATOM 15 N LIG 1 -6.060 -1.553 0.868 0.00 0.00 -0.128 NA ATOM 16 N LIG 1 -6.040 -2.535 -0.097 0.00 0.00 -0.132 NA ATOM 17 C LIG 1 -4.287 -0.048 1.792 0.00 0.00 -0.001 A ATOM 18 C LIG 1 -5.108 0.715 2.799 0.00 0.00 +0.048 C ATOM 19 C LIG 1 -4.809 -2.622 -0.564 0.00 0.00 +0.152 A ATOM 20 C LIG 1 -4.303 -3.535 -1.609 0.00 0.00 +0.090 C ATOM 21 C LIG 1 -2.973 0.212 1.641 0.00 0.00 +0.053 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.482 2.238 0.881 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -0.845 2.598 -0.430 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.170 3.920 -0.746 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.132 4.899 0.243 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.532 6.525 -0.145 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.771 4.567 1.546 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.446 3.246 1.864 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 4.586 -1.739 -1.409 0.00 0.00 +0.241 A ATOM 30 C LIG 1 3.244 -1.352 -1.460 0.00 0.00 +0.128 A ATOM 31 C LIG 1 2.491 -1.774 -2.563 0.00 0.00 +0.034 A ATOM 32 C LIG 1 3.083 -2.556 -3.553 0.00 0.00 +0.022 A ATOM 33 C LIG 1 4.415 -2.890 -3.413 0.00 0.00 +0.115 A ATOM 34 N LIG 1 5.173 -2.503 -2.369 0.00 0.00 -0.220 NA BRANCH 29 36 ATOM 35 C LIG 1 6.728 -1.713 -0.448 0.00 0.00 +0.279 C ATOM 36 O LIG 1 5.339 -1.449 -0.293 0.00 0.00 -0.478 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4