REMARK Name = BDB059428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.173 0.320 0.014 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -1.312 1.397 -0.253 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.067 1.202 -0.435 0.00 0.00 -0.008 A ATOM 4 C LIG 1 0.952 2.385 -0.715 0.00 0.00 +0.047 C ATOM 5 C LIG 1 0.586 -0.097 -0.312 0.00 0.00 +0.126 A ATOM 6 C LIG 1 -0.257 -1.201 -0.112 0.00 0.00 -0.008 A ATOM 7 C LIG 1 0.272 -2.607 -0.044 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -1.630 -0.974 0.070 0.00 0.00 +0.018 A ENDROOT BRANCH 1 15 ATOM 9 C LIG 1 -7.890 -1.431 -0.766 0.00 0.00 +0.127 A ATOM 10 C LIG 1 -6.500 -1.411 -0.851 0.00 0.00 +0.092 A ATOM 11 C LIG 1 -5.772 -0.382 -0.253 0.00 0.00 +0.146 A ATOM 12 C LIG 1 -6.424 0.646 0.431 0.00 0.00 +0.106 A ATOM 13 C LIG 1 -5.578 1.700 1.043 0.00 0.00 +0.197 A ATOM 14 C LIG 1 -4.120 1.548 0.892 0.00 0.00 +0.098 A ATOM 15 C LIG 1 -3.626 0.518 0.195 0.00 0.00 +0.139 A ATOM 16 O LIG 1 -6.006 2.674 1.651 0.00 0.00 -0.287 OA ATOM 17 C LIG 1 -7.830 0.647 0.508 0.00 0.00 +0.138 A ATOM 18 O LIG 1 -4.408 -0.463 -0.388 0.00 0.00 -0.454 OA ATOM 19 C LIG 1 -8.551 -0.403 -0.087 0.00 0.00 +0.092 A BRANCH 9 21 ATOM 20 C LIG 1 -9.887 -2.642 -1.234 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -8.481 -2.496 -1.388 0.00 0.00 -0.495 OA ENDBRANCH 9 21 BRANCH 17 22 ATOM 22 O LIG 1 -8.427 1.674 1.188 0.00 0.00 -0.494 OA ATOM 23 C LIG 1 -9.828 1.863 1.032 0.00 0.00 +0.277 C ENDBRANCH 17 22 ENDBRANCH 1 15 BRANCH 5 24 ATOM 24 O LIG 1 1.935 -0.293 -0.470 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 2.596 -0.260 0.809 0.00 0.00 +0.261 C BRANCH 25 26 ATOM 26 C LIG 1 4.100 -0.476 0.584 0.00 0.00 +0.166 C BRANCH 26 27 ATOM 27 O LIG 1 4.278 -1.760 -0.036 0.00 0.00 -0.387 OA ATOM 28 H LIG 1 3.726 -1.746 -0.842 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 4.703 0.647 -0.301 0.00 0.00 +0.119 C BRANCH 29 30 ATOM 30 N LIG 1 6.168 0.771 -0.323 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 6.744 1.304 0.923 0.00 0.00 +0.100 C ATOM 32 C LIG 1 8.072 0.640 1.373 0.00 0.00 +0.099 C ATOM 33 N LIG 1 9.030 0.480 0.270 0.00 0.00 -0.303 NA ATOM 34 C LIG 1 10.247 -0.207 0.709 0.00 0.00 +0.105 C ATOM 35 C LIG 1 8.407 -0.189 -0.896 0.00 0.00 +0.099 C ATOM 36 C LIG 1 6.876 -0.421 -0.795 0.00 0.00 +0.100 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 9