REMARK Name = BDB006459 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.701 -3.604 1.052 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.459 -2.883 -0.008 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.929 -1.937 -0.940 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.980 -1.508 -1.754 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.782 -0.576 -2.789 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.495 -0.070 -2.991 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -0.567 -0.469 -2.180 0.00 0.00 +0.037 A ATOM 8 N LIG 1 3.121 -2.164 -1.323 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.363 -1.414 -1.163 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.815 -3.009 -0.272 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.834 -3.858 0.411 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -1.915 0.103 -2.443 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -2.740 0.230 -1.350 0.00 0.00 -0.304 N ATOM 14 H LIG 1 -2.351 0.112 -0.425 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -2.231 0.450 -3.576 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -4.085 0.780 -1.455 0.00 0.00 +0.108 C BRANCH 16 17 ATOM 17 C LIG 1 -4.594 1.242 -0.095 0.00 0.00 -0.027 A ATOM 18 C LIG 1 -5.154 2.526 0.037 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -5.640 2.991 1.271 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -5.561 2.146 2.385 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.013 0.870 2.271 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -4.533 0.421 1.041 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 C LIG 1 -6.235 4.386 1.369 0.00 0.00 +0.013 C ATOM 24 C LIG 1 -5.432 5.274 2.321 0.00 0.00 +0.012 C ATOM 25 C LIG 1 -7.710 4.340 1.778 0.00 0.00 +0.012 C ENDBRANCH 19 23 ENDBRANCH 16 17 BRANCH 16 26 ATOM 26 C LIG 1 -5.086 -0.146 -2.197 0.00 0.00 +0.062 C BRANCH 26 27 ATOM 27 C LIG 1 -5.280 -1.531 -1.617 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.392 -2.568 -1.937 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -4.562 -3.841 -1.393 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.626 -4.094 -0.529 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -6.522 -3.075 -0.211 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.353 -1.801 -0.755 0.00 0.00 +0.004 A ENDBRANCH 26 27 ENDBRANCH 16 26 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 33 ATOM 33 C LIG 1 4.443 -2.021 -1.936 0.00 0.00 +0.157 C BRANCH 33 34 ATOM 34 C LIG 1 5.390 -1.181 -1.111 0.00 0.00 -0.028 A ATOM 35 C LIG 1 6.667 -1.667 -0.800 0.00 0.00 +0.006 A ATOM 36 C LIG 1 7.564 -0.893 -0.057 0.00 0.00 +0.009 A ATOM 37 C LIG 1 7.218 0.392 0.390 0.00 0.00 -0.018 A ATOM 38 C LIG 1 5.943 0.877 0.064 0.00 0.00 +0.009 A ATOM 39 C LIG 1 5.043 0.106 -0.680 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 8.162 1.204 1.177 0.00 0.00 -0.018 A ATOM 41 C LIG 1 7.783 1.762 2.409 0.00 0.00 +0.008 A ATOM 42 C LIG 1 8.678 2.531 3.159 0.00 0.00 +0.001 A ATOM 43 C LIG 1 9.969 2.755 2.688 0.00 0.00 +0.000 A ATOM 44 C LIG 1 10.365 2.212 1.468 0.00 0.00 +0.001 A ATOM 45 C LIG 1 9.470 1.443 0.721 0.00 0.00 +0.008 A ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 9