REMARK Name = BDB006485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.626 -0.227 3.460 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.033 -0.864 2.286 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.511 -0.996 0.971 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.442 -1.640 0.179 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.218 -1.904 -1.184 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.002 -1.515 -1.744 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.980 -0.888 -0.971 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.536 -1.899 0.989 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -1.737 -0.611 0.383 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.293 -1.445 2.272 0.00 0.00 +0.020 A ATOM 11 C LIG 1 2.283 -1.575 3.381 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.260 -0.504 -1.625 0.00 0.00 +0.244 C ATOM 13 N LIG 1 -4.376 -0.487 -0.811 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -4.313 -0.944 0.089 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 -3.291 -0.257 -2.825 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.713 -0.242 -1.347 0.00 0.00 +0.073 C ATOM 17 C LIG 1 -6.270 -1.557 -1.904 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 -6.625 0.382 -0.253 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -6.069 1.732 0.266 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -6.728 2.930 -0.408 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -8.234 2.969 -0.146 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -8.848 1.583 0.046 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -8.086 0.520 -0.735 0.00 0.00 +0.005 C ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 24 ATOM 24 C LIG 1 2.745 -2.600 0.553 0.00 0.00 +0.157 C BRANCH 24 25 ATOM 25 C LIG 1 3.927 -1.679 0.363 0.00 0.00 -0.028 A ATOM 26 C LIG 1 3.844 -0.535 -0.443 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.961 0.284 -0.636 0.00 0.00 +0.009 A ATOM 28 C LIG 1 6.191 -0.026 -0.040 0.00 0.00 -0.017 A ATOM 29 C LIG 1 6.274 -1.173 0.761 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.160 -1.993 0.954 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 7.358 0.844 -0.233 0.00 0.00 -0.004 A ATOM 32 C LIG 1 8.168 0.813 -1.387 0.00 0.00 +0.067 A ATOM 33 C LIG 1 9.244 1.710 -1.520 0.00 0.00 +0.015 A ATOM 34 C LIG 1 9.525 2.634 -0.515 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.738 2.670 0.630 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.665 1.786 0.768 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 7.936 -0.179 -2.467 0.00 0.00 +0.337 C ATOM 38 O LIG 1 7.559 -1.328 -2.353 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 8.196 0.347 -3.680 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 7.986 -0.385 -4.296 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 8 24 TORSDOF 8