REMARK Name = BDB006517 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.103 1.496 3.876 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.092 1.317 2.397 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.081 0.663 1.626 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.474 0.706 0.286 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.302 0.123 -0.732 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.505 -0.499 -0.380 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.931 -0.535 0.949 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.687 1.375 0.241 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.136 0.030 1.957 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.070 1.752 1.514 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.346 2.472 1.802 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.209 -1.188 1.349 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.206 -1.207 0.397 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.119 -0.602 -0.408 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.346 -1.642 2.479 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.536 -1.716 0.697 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.549 -3.245 0.791 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.518 -1.196 -0.341 0.00 0.00 -0.027 A ATOM 19 C LIG 1 7.424 -0.180 0.009 0.00 0.00 +0.009 A ATOM 20 C LIG 1 8.332 0.346 -0.926 0.00 0.00 -0.044 A ATOM 21 C LIG 1 8.315 -0.158 -2.233 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.413 -1.157 -2.598 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.518 -1.670 -1.661 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 9.317 1.440 -0.553 0.00 0.00 +0.013 C ATOM 25 C LIG 1 10.277 0.986 0.549 0.00 0.00 +0.012 C ATOM 26 C LIG 1 8.596 2.729 -0.151 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.426 1.674 -0.987 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.684 0.852 -1.151 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.723 -0.516 -0.852 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.904 -1.247 -1.006 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.074 -0.634 -1.478 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.020 0.725 -1.821 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.841 1.458 -1.660 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.325 -1.397 -1.604 0.00 0.00 -0.006 A ATOM 35 C LIG 1 -8.469 -1.152 -0.814 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -9.655 -1.872 -1.037 0.00 0.00 +0.014 A ATOM 37 C LIG 1 -9.710 -2.858 -2.021 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -8.584 -3.126 -2.792 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.407 -2.402 -2.588 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.504 -0.153 0.263 0.00 0.00 +0.250 A ATOM 41 O LIG 1 -7.383 -0.009 1.007 0.00 0.00 -0.388 OA ATOM 42 C LIG 1 -7.710 0.950 1.913 0.00 0.00 +0.436 A ATOM 43 O LIG 1 -6.979 1.406 2.774 0.00 0.00 -0.221 OA ATOM 44 N LIG 1 -9.010 1.288 1.658 0.00 0.00 -0.208 N ATOM 45 H LIG 1 -9.549 1.970 2.173 0.00 0.00 +0.195 HD ATOM 46 N LIG 1 -9.517 0.580 0.616 0.00 0.00 -0.130 NA ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8