REMARK Name = BDB006472 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.849 -5.045 0.980 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.846 -3.810 0.146 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.725 -2.959 -0.105 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.157 -1.918 -0.928 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.290 -0.893 -1.346 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.043 -0.936 -0.925 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.507 -1.979 -0.121 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.504 -2.128 -1.173 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.627 -2.985 0.304 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.931 -3.277 -0.534 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -4.336 -3.771 -0.607 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.924 -2.049 0.332 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.857 -1.480 -0.506 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.581 -1.196 -1.436 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.214 -2.610 1.383 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.281 -1.527 -0.220 0.00 0.00 +0.101 C ATOM 17 C LIG 1 5.873 -2.897 -0.564 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.971 -0.386 -0.949 0.00 0.00 -0.024 A ATOM 19 C LIG 1 6.393 0.745 -0.223 0.00 0.00 +0.051 A ATOM 20 C LIG 1 6.998 1.826 -0.867 0.00 0.00 +0.121 A ATOM 21 C LIG 1 7.174 1.781 -2.252 0.00 0.00 +0.045 A ATOM 22 C LIG 1 6.757 0.674 -2.989 0.00 0.00 +0.004 A ATOM 23 C LIG 1 6.155 -0.404 -2.342 0.00 0.00 +0.006 A BRANCH 20 24 ATOM 24 O LIG 1 7.450 2.974 -0.281 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 7.386 3.117 1.141 0.00 0.00 +0.167 C ATOM 26 C LIG 1 7.423 4.617 1.431 0.00 0.00 +0.051 C ATOM 27 C LIG 1 8.586 2.434 1.794 0.00 0.00 +0.051 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -3.333 -1.282 -2.034 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -4.230 -0.339 -1.266 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -3.748 0.445 -0.208 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -4.590 1.340 0.460 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -5.932 1.482 0.085 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -6.410 0.709 -0.982 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.569 -0.186 -1.651 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -6.810 2.434 0.782 0.00 0.00 -0.004 A ATOM 36 C LIG 1 -7.874 2.042 1.618 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -8.726 2.996 2.196 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -8.508 4.354 1.978 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.447 4.763 1.175 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -6.611 3.814 0.581 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 -8.170 0.629 1.927 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -9.270 0.110 1.891 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -7.085 -0.029 2.365 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -7.402 -0.937 2.542 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 10