REMARK Name = BDB006335 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.941 0.909 -2.747 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.124 1.135 -1.523 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.436 0.700 -0.197 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.602 1.115 0.641 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.602 0.827 2.018 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.478 0.114 2.547 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.537 -0.297 1.736 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.520 1.784 -0.150 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.516 -0.021 0.360 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.085 1.813 -1.462 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.857 2.463 -2.561 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.657 -1.051 2.366 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.881 -0.961 1.740 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.018 -0.231 1.054 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.474 -1.677 3.405 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.077 -1.564 2.309 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.064 -3.090 2.174 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.308 -0.949 1.664 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.619 -1.175 0.311 0.00 0.00 +0.014 A ATOM 20 C LIG 1 7.744 -0.586 -0.290 0.00 0.00 -0.018 A ATOM 21 C LIG 1 8.578 0.256 0.478 0.00 0.00 -0.018 A ATOM 22 C LIG 1 9.702 0.846 -0.123 0.00 0.00 +0.008 A ATOM 23 C LIG 1 10.000 0.607 -1.465 0.00 0.00 +0.001 A ATOM 24 C LIG 1 9.180 -0.223 -2.223 0.00 0.00 +0.001 A ATOM 25 C LIG 1 8.262 0.487 1.825 0.00 0.00 +0.009 A ATOM 26 C LIG 1 8.059 -0.816 -1.639 0.00 0.00 +0.008 A ATOM 27 C LIG 1 7.140 -0.105 2.410 0.00 0.00 +0.006 A ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -2.746 2.411 0.349 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -3.994 1.634 0.002 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -4.119 0.272 0.308 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -5.293 -0.423 0.001 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.376 0.225 -0.609 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -6.252 1.590 -0.905 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -5.080 2.288 -0.598 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -7.605 -0.510 -0.945 0.00 0.00 -0.004 A ATOM 36 C LIG 1 -8.492 -1.024 0.022 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -9.605 -1.791 -0.357 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -9.870 -2.026 -1.704 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.020 -1.506 -2.676 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -7.899 -0.760 -2.300 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 -8.308 -0.811 1.471 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -8.382 -1.669 2.330 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -8.145 0.488 1.772 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -8.052 0.501 2.747 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 8