REMARK Name = BDB006498 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.975 -0.724 2.287 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.660 -1.643 1.275 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.326 -2.079 1.110 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.309 -2.979 0.199 0.00 0.00 -0.022 A ATOM 5 C LIG 1 -1.655 -3.022 0.529 0.00 0.00 +0.020 A ATOM 6 N LIG 1 -1.855 -2.168 1.598 0.00 0.00 -0.339 N ATOM 7 C LIG 1 -2.757 -3.801 -0.106 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.350 -3.737 -0.902 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.655 -1.589 1.975 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.349 -0.679 3.003 0.00 0.00 +0.027 A ATOM 11 C LIG 1 0.978 -0.261 3.146 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 4.172 -0.203 1.375 0.00 0.00 -0.305 N ATOM 13 H LIG 1 3.739 -0.285 0.465 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 3.367 -0.236 2.493 0.00 0.00 +0.245 C ATOM 15 O LIG 1 3.731 0.142 3.601 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 5.517 0.349 1.419 0.00 0.00 +0.100 C ATOM 17 C LIG 1 6.492 -0.593 2.134 0.00 0.00 +0.033 C BRANCH 16 21 ATOM 18 C LIG 1 6.767 1.331 -2.625 0.00 0.00 -0.048 A ATOM 19 C LIG 1 6.486 2.338 -1.696 0.00 0.00 +0.004 A ATOM 20 C LIG 1 6.089 2.015 -0.396 0.00 0.00 +0.006 A ATOM 21 C LIG 1 5.974 0.677 0.007 0.00 0.00 -0.027 A ATOM 22 C LIG 1 6.254 -0.330 -0.930 0.00 0.00 +0.006 A ATOM 23 C LIG 1 6.651 -0.007 -2.229 0.00 0.00 +0.004 A BRANCH 18 25 ATOM 24 C LIG 1 8.726 1.804 -4.117 0.00 0.00 +0.009 C ATOM 25 C LIG 1 7.214 1.680 -4.021 0.00 0.00 +0.032 C ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 -3.134 -1.947 2.276 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -4.071 -1.054 1.497 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -5.392 -1.462 1.264 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -6.281 -0.637 0.567 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.878 0.621 0.096 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.560 1.030 0.341 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.669 0.207 1.037 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.811 1.482 -0.647 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.297 2.709 -0.152 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.120 3.530 -0.940 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -8.496 3.124 -2.219 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.047 1.904 -2.716 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.211 1.095 -1.941 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -6.970 3.212 1.196 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -6.589 4.337 1.461 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -7.238 2.306 2.151 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -6.999 2.756 2.986 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 9