REMARK Name = BDB064666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.239 -3.477 -0.185 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.301 -2.527 -0.567 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -1.792 -1.613 0.351 0.00 0.00 +0.241 C ATOM 4 O LIG 1 -1.266 -1.541 1.463 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -1.828 -2.842 -1.889 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.876 -3.897 -2.454 0.00 0.00 +0.134 C ATOM 7 C LIG 1 -0.371 -4.609 -1.201 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.234 -1.583 -0.730 0.00 0.00 -0.302 N ATOM 9 H LIG 1 0.363 -1.084 -0.877 0.00 0.00 +0.150 HD ATOM 10 C LIG 1 1.179 -2.865 -0.249 0.00 0.00 +0.234 C ATOM 11 O LIG 1 2.188 -3.497 0.056 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.456 -0.790 -0.792 0.00 0.00 +0.163 C BRANCH 12 16 ATOM 13 N LIG 1 3.174 1.065 -2.262 0.00 0.00 -0.328 N ATOM 14 H LIG 1 4.127 0.923 -1.949 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 2.974 1.896 -2.803 0.00 0.00 +0.145 HD ATOM 16 C LIG 1 2.120 0.403 -1.705 0.00 0.00 +0.231 C ATOM 17 O LIG 1 0.964 0.765 -1.932 0.00 0.00 -0.274 OA ENDBRANCH 12 16 BRANCH 12 18 ATOM 18 C LIG 1 2.885 -0.313 0.606 0.00 0.00 +0.067 C BRANCH 18 19 ATOM 19 C LIG 1 4.283 0.259 0.646 0.00 0.00 -0.045 A ATOM 20 C LIG 1 5.393 -0.574 0.471 0.00 0.00 +0.004 A ATOM 21 C LIG 1 6.686 -0.043 0.482 0.00 0.00 +0.009 A ATOM 22 C LIG 1 6.906 1.330 0.673 0.00 0.00 -0.018 A ATOM 23 C LIG 1 5.785 2.155 0.858 0.00 0.00 +0.009 A ATOM 24 C LIG 1 4.489 1.628 0.848 0.00 0.00 +0.004 A BRANCH 22 25 ATOM 25 C LIG 1 8.269 1.887 0.688 0.00 0.00 -0.018 A ATOM 26 C LIG 1 8.621 2.965 -0.141 0.00 0.00 +0.008 A ATOM 27 C LIG 1 9.915 3.493 -0.128 0.00 0.00 +0.001 A ATOM 28 C LIG 1 10.881 2.951 0.717 0.00 0.00 +0.000 A ATOM 29 C LIG 1 10.553 1.882 1.547 0.00 0.00 +0.001 A ATOM 30 C LIG 1 9.259 1.355 1.532 0.00 0.00 +0.008 A ENDBRANCH 22 25 ENDBRANCH 18 19 ENDBRANCH 12 18 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 31 ATOM 31 O LIG 1 -1.521 -4.791 -3.343 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 -2.181 -5.306 -2.845 0.00 0.00 +0.210 HD ENDBRANCH 6 31 BRANCH 3 33 ATOM 33 C LIG 1 -2.920 -0.659 -0.099 0.00 0.00 +0.200 C BRANCH 33 34 ATOM 34 C LIG 1 -3.058 0.665 0.738 0.00 0.00 +0.002 C ATOM 35 C LIG 1 -3.505 0.438 2.208 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -3.608 1.774 2.968 0.00 0.00 -0.010 C ATOM 37 C LIG 1 -2.243 2.479 2.953 0.00 0.00 +0.007 C ATOM 38 C LIG 1 -1.814 2.766 1.506 0.00 0.00 -0.010 C ATOM 39 C LIG 1 -2.864 3.655 0.826 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -4.225 2.947 0.832 0.00 0.00 -0.010 C ATOM 41 C LIG 1 -4.650 2.670 2.281 0.00 0.00 +0.007 C ATOM 42 C LIG 1 -1.702 1.438 0.740 0.00 0.00 +0.013 C ATOM 43 C LIG 1 -4.111 1.612 0.076 0.00 0.00 +0.013 C ENDBRANCH 33 34 BRANCH 33 44 ATOM 44 N LIG 1 -4.171 -1.394 -0.239 0.00 0.00 -0.239 N ATOM 45 N LIG 1 -4.556 -2.315 0.663 0.00 0.00 -0.065 NA ATOM 46 N LIG 1 -5.695 -2.844 0.238 0.00 0.00 -0.134 NA ATOM 47 C LIG 1 -6.019 -2.250 -0.947 0.00 0.00 +0.086 A ATOM 48 C LIG 1 -5.056 -1.331 -1.282 0.00 0.00 +0.134 A BRANCH 47 49 ATOM 49 C LIG 1 -7.293 -2.610 -1.748 0.00 0.00 +0.041 C ATOM 50 C LIG 1 -8.274 -1.520 -2.094 0.00 0.00 +0.010 C ATOM 51 C LIG 1 -7.470 -2.177 -3.180 0.00 0.00 +0.010 C ENDBRANCH 47 49 ENDBRANCH 33 44 ENDBRANCH 3 33 TORSDOF 11