REMARK Name = BDB053129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 2.296 -2.426 -0.423 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 1.590 -1.459 -0.632 0.00 0.00 +0.250 C ATOM 3 N LIG 1 0.707 -0.836 0.229 0.00 0.00 -0.257 N ATOM 4 C LIG 1 0.008 0.281 -0.399 0.00 0.00 +0.192 C ATOM 5 C LIG 1 0.578 0.274 -1.801 0.00 0.00 +0.019 A ATOM 6 C LIG 1 0.321 1.106 -2.880 0.00 0.00 +0.009 A ATOM 7 C LIG 1 1.016 0.877 -4.072 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.953 -0.167 -4.174 0.00 0.00 +0.001 A ATOM 9 C LIG 1 2.213 -0.999 -3.083 0.00 0.00 +0.013 A ATOM 10 C LIG 1 1.517 -0.751 -1.916 0.00 0.00 +0.045 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 0.296 1.621 0.299 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -0.748 2.454 0.748 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -0.478 3.667 1.390 0.00 0.00 +0.020 A ATOM 14 C LIG 1 0.839 4.069 1.589 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 1.168 5.555 2.391 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 1.890 3.274 1.145 0.00 0.00 +0.020 A ATOM 17 C LIG 1 1.620 2.062 0.502 0.00 0.00 +0.010 A ENDBRANCH 4 11 BRANCH 3 18 ATOM 18 C LIG 1 0.450 -1.280 1.586 0.00 0.00 +0.146 C BRANCH 18 19 ATOM 19 C LIG 1 1.330 -0.614 2.615 0.00 0.00 -0.030 A ATOM 20 C LIG 1 0.796 0.318 3.516 0.00 0.00 +0.005 A ATOM 21 C LIG 1 1.615 0.947 4.455 0.00 0.00 +0.000 A ATOM 22 C LIG 1 2.974 0.644 4.511 0.00 0.00 +0.000 A ATOM 23 C LIG 1 3.515 -0.287 3.628 0.00 0.00 +0.000 A ATOM 24 C LIG 1 2.699 -0.913 2.685 0.00 0.00 +0.005 A ENDBRANCH 18 19 ENDBRANCH 3 18 BRANCH 4 25 ATOM 25 O LIG 1 -1.403 0.030 -0.385 0.00 0.00 -0.344 OA BRANCH 25 26 ATOM 26 C LIG 1 -1.893 -1.145 -1.012 0.00 0.00 +0.124 C ATOM 27 C LIG 1 -3.018 -1.732 -0.168 0.00 0.00 +0.063 C ATOM 28 C LIG 1 -3.801 -2.605 -1.141 0.00 0.00 +0.117 C ATOM 29 C LIG 1 -3.536 -2.030 -2.533 0.00 0.00 +0.034 C ATOM 30 C LIG 1 -2.621 -0.830 -2.314 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 31 O LIG 1 -5.181 -2.564 -0.822 0.00 0.00 -0.392 OA ATOM 32 H LIG 1 -5.651 -3.118 -1.469 0.00 0.00 +0.210 HD ENDBRANCH 28 31 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 6