REMARK Name = BDB047490 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.404 0.974 2.550 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.566 1.754 1.844 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 -5.710 -0.377 0.903 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -4.383 0.309 1.091 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -3.508 -0.473 1.853 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -2.215 -0.051 2.133 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.800 1.194 1.655 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.689 1.987 0.910 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -4.141 -1.768 2.253 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -3.986 1.550 0.624 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -5.625 -1.477 1.992 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 -6.014 -0.928 -0.509 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 -6.986 -0.340 -2.793 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -6.351 0.193 -1.513 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -4.925 -1.856 -1.010 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -4.851 -3.050 -0.761 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -3.975 -1.260 -1.750 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -3.323 -1.968 -1.929 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.718 1.752 2.600 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.451 1.709 1.306 0.00 0.00 +0.086 A ATOM 21 C LIG 1 2.257 2.446 0.157 0.00 0.00 +0.126 A ATOM 22 C LIG 1 1.316 3.500 -0.259 0.00 0.00 +0.088 C ATOM 23 O LIG 1 3.179 2.037 -0.765 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 3.895 1.061 -0.121 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.496 0.831 1.117 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 4.973 0.426 -0.875 0.00 0.00 +0.037 A ATOM 27 C LIG 1 5.745 -0.577 -0.268 0.00 0.00 +0.021 A ATOM 28 C LIG 1 6.792 -1.216 -0.955 0.00 0.00 -0.017 A ATOM 29 C LIG 1 7.074 -0.842 -2.288 0.00 0.00 -0.018 A ATOM 30 C LIG 1 8.119 -1.481 -2.975 0.00 0.00 +0.008 A ATOM 31 C LIG 1 8.877 -2.475 -2.354 0.00 0.00 +0.001 A ATOM 32 C LIG 1 8.599 -2.844 -1.042 0.00 0.00 +0.001 A ATOM 33 C LIG 1 6.303 0.159 -2.895 0.00 0.00 +0.009 A ATOM 34 C LIG 1 7.564 -2.219 -0.345 0.00 0.00 +0.008 A ATOM 35 C LIG 1 5.265 0.785 -2.197 0.00 0.00 +0.014 A ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 9