REMARK Name = BDB007124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.037 -1.537 2.893 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.256 -0.574 1.777 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.465 -0.452 0.592 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.023 0.562 -0.189 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.484 0.918 -1.438 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.649 0.236 -1.890 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.238 -0.768 -1.122 0.00 0.00 +0.037 A ATOM 8 N LIG 1 2.122 1.047 0.501 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.680 -1.128 0.114 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.263 0.377 1.702 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.352 0.675 2.677 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -2.446 -1.453 -1.660 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -3.332 -1.944 -0.722 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.254 -1.592 0.221 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.620 -1.529 -2.871 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.639 -2.453 -1.110 0.00 0.00 +0.100 C ATOM 17 C LIG 1 -4.949 -3.730 -0.327 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -5.676 -1.353 -0.946 0.00 0.00 -0.027 A ATOM 19 C LIG 1 -6.338 -1.108 0.269 0.00 0.00 +0.009 A ATOM 20 C LIG 1 -7.274 -0.066 0.397 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -7.532 0.746 -0.715 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -6.871 0.528 -1.922 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.947 -0.510 -2.035 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 -7.973 0.160 1.727 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -9.488 -0.023 1.604 0.00 0.00 +0.012 C ATOM 26 C LIG 1 -7.635 1.533 2.314 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 2.976 2.143 0.038 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 4.318 1.671 -0.472 0.00 0.00 -0.028 A ATOM 29 C LIG 1 5.495 2.279 -0.012 0.00 0.00 +0.009 A ATOM 30 C LIG 1 6.750 1.875 -0.488 0.00 0.00 +0.046 A ATOM 31 C LIG 1 6.846 0.863 -1.440 0.00 0.00 +0.122 A ATOM 32 C LIG 1 5.677 0.261 -1.910 0.00 0.00 +0.046 A ATOM 33 C LIG 1 4.425 0.663 -1.438 0.00 0.00 +0.009 A BRANCH 31 34 ATOM 34 O LIG 1 7.996 0.369 -1.990 0.00 0.00 -0.478 OA BRANCH 34 35 ATOM 35 C LIG 1 9.253 0.953 -1.617 0.00 0.00 +0.278 C ATOM 36 C LIG 1 9.789 0.285 -0.358 0.00 0.00 +0.064 C BRANCH 35 37 ATOM 37 C LIG 1 10.230 0.701 -2.767 0.00 0.00 +0.346 C ATOM 38 O LIG 1 11.411 1.020 -2.751 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 9.659 0.087 -3.833 0.00 0.00 -0.478 OA ATOM 40 H LIG 1 8.713 -0.091 -3.637 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 10