REMARK Name = BDB006366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.052 -0.764 4.457 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.075 -1.080 3.001 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.022 -0.841 2.064 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.461 -1.276 0.811 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.346 -1.163 -0.335 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.625 -0.610 -0.200 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.094 -0.186 1.045 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.745 -1.767 0.980 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.270 -0.285 2.176 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.123 -1.665 2.306 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.455 -2.110 2.809 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.451 0.404 1.217 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.416 -0.026 0.337 0.00 0.00 -0.301 N ATOM 14 H LIG 1 -4.231 -0.798 -0.284 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.664 1.199 2.125 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.790 0.446 0.406 0.00 0.00 +0.134 C BRANCH 16 17 ATOM 17 C LIG 1 -6.055 1.658 -0.487 0.00 0.00 -0.023 A ATOM 18 C LIG 1 -5.179 2.059 -1.510 0.00 0.00 +0.006 A ATOM 19 C LIG 1 -5.473 3.166 -2.311 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.646 3.887 -2.105 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -7.527 3.505 -1.097 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -7.235 2.401 -0.295 0.00 0.00 +0.006 A ENDBRANCH 16 17 BRANCH 16 23 ATOM 23 C LIG 1 -6.716 -0.736 0.127 0.00 0.00 -0.023 A ATOM 24 C LIG 1 -7.208 -1.494 1.203 0.00 0.00 +0.006 A ATOM 25 C LIG 1 -8.028 -2.602 0.980 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -8.359 -2.974 -0.321 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -7.868 -2.242 -1.400 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -7.047 -1.134 -1.179 0.00 0.00 +0.006 A ENDBRANCH 16 23 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 29 ATOM 29 C LIG 1 2.555 -2.358 -0.087 0.00 0.00 +0.157 C BRANCH 29 30 ATOM 30 C LIG 1 3.670 -1.454 -0.558 0.00 0.00 -0.028 A ATOM 31 C LIG 1 4.973 -1.957 -0.677 0.00 0.00 +0.006 A ATOM 32 C LIG 1 6.014 -1.143 -1.133 0.00 0.00 +0.009 A ATOM 33 C LIG 1 5.780 0.193 -1.490 0.00 0.00 -0.017 A ATOM 34 C LIG 1 4.473 0.688 -1.388 0.00 0.00 +0.009 A ATOM 35 C LIG 1 3.430 -0.124 -0.932 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 6.877 1.047 -1.972 0.00 0.00 -0.004 A ATOM 37 C LIG 1 7.941 1.472 -1.153 0.00 0.00 +0.067 A ATOM 38 C LIG 1 9.008 2.216 -1.681 0.00 0.00 +0.015 A ATOM 39 C LIG 1 9.010 2.575 -3.027 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.954 2.188 -3.848 0.00 0.00 +0.001 A ATOM 41 C LIG 1 6.902 1.429 -3.327 0.00 0.00 +0.009 A BRANCH 37 42 ATOM 42 C LIG 1 8.009 1.156 0.286 0.00 0.00 +0.337 C ATOM 43 O LIG 1 8.961 0.665 0.863 0.00 0.00 -0.245 OA BRANCH 42 44 ATOM 44 O LIG 1 6.907 1.567 0.935 0.00 0.00 -0.477 OA ATOM 45 H LIG 1 7.061 1.322 1.870 0.00 0.00 +0.295 HD ENDBRANCH 42 44 ENDBRANCH 37 42 ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9