REMARK Name = BDB027032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.573 -1.879 -0.001 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.351 -3.388 0.041 0.00 0.00 -0.023 A ATOM 3 C LIG 1 1.540 -4.097 1.238 0.00 0.00 +0.005 A ATOM 4 C LIG 1 1.351 -5.480 1.282 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.982 -6.171 0.130 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.808 -5.483 -1.069 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.997 -4.101 -1.116 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 9 ATOM 8 O LIG 1 0.312 -0.852 -1.826 0.00 0.00 -0.290 OA ATOM 9 C LIG 1 0.344 -1.156 -0.630 0.00 0.00 +0.186 C BRANCH 9 10 ATOM 10 C LIG 1 -0.798 -0.835 0.244 0.00 0.00 +0.044 A ATOM 11 C LIG 1 -1.956 -0.054 -0.103 0.00 0.00 +0.010 A ATOM 12 C LIG 1 -2.783 -0.001 1.018 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -4.005 0.687 1.033 0.00 0.00 +0.054 A ATOM 14 C LIG 1 -4.406 1.351 -0.140 0.00 0.00 +0.067 A ATOM 15 C LIG 1 -3.595 1.315 -1.280 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -2.169 -0.724 2.010 0.00 0.00 -0.360 N ATOM 17 H LIG 1 -2.555 -0.864 2.934 0.00 0.00 +0.165 HD ATOM 18 C LIG 1 -2.377 0.619 -1.269 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -0.975 -1.224 1.562 0.00 0.00 +0.095 A BRANCH 14 20 ATOM 20 N LIG 1 -5.644 2.056 -0.141 0.00 0.00 -0.240 N ATOM 21 N LIG 1 -6.430 2.095 0.971 0.00 0.00 -0.175 NA ATOM 22 C LIG 1 -7.486 2.825 0.617 0.00 0.00 +0.135 A ATOM 23 C LIG 1 -7.413 3.271 -0.708 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -6.223 2.766 -1.175 0.00 0.00 +0.114 A ENDBRANCH 14 20 ENDBRANCH 9 10 ENDBRANCH 1 9 BRANCH 1 25 ATOM 25 N LIG 1 2.831 -1.591 -0.744 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 3.475 -2.364 -0.575 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 3.494 -0.347 -0.332 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 2.794 0.943 -0.780 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 3.616 2.165 -0.437 0.00 0.00 -0.046 A ATOM 30 C LIG 1 4.596 2.631 -1.328 0.00 0.00 +0.006 A ATOM 31 C LIG 1 5.368 3.747 -1.005 0.00 0.00 +0.038 A ATOM 32 C LIG 1 5.163 4.394 0.208 0.00 0.00 +0.123 A ATOM 33 F LIG 1 5.906 5.465 0.518 0.00 0.00 -0.205 F ATOM 34 C LIG 1 4.200 3.947 1.104 0.00 0.00 +0.038 A ATOM 35 C LIG 1 3.426 2.830 0.784 0.00 0.00 +0.006 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 8