REMARK Name = BDB006569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.135 -2.525 -2.867 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.131 -2.506 -1.766 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.356 -2.087 -0.417 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.845 -2.235 0.278 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.962 -1.914 1.641 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.170 -1.436 2.307 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.384 -1.271 1.638 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.777 -2.728 -0.620 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.488 -1.604 0.278 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.194 -2.908 -1.860 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.934 -3.450 -3.036 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.554 -0.771 2.414 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.539 -0.130 1.693 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.319 0.193 0.761 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.592 -0.914 3.631 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.685 0.482 2.347 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.662 -0.567 2.889 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.374 1.434 1.383 0.00 0.00 -0.027 A ATOM 19 C LIG 1 6.008 0.966 0.218 0.00 0.00 +0.009 A ATOM 20 C LIG 1 6.642 1.845 -0.675 0.00 0.00 -0.044 A ATOM 21 C LIG 1 6.630 3.216 -0.386 0.00 0.00 +0.004 A ATOM 22 C LIG 1 5.995 3.696 0.759 0.00 0.00 +0.001 A ATOM 23 C LIG 1 5.369 2.812 1.637 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 7.335 1.296 -1.910 0.00 0.00 +0.013 C ATOM 25 C LIG 1 6.766 1.894 -3.199 0.00 0.00 +0.012 C ATOM 26 C LIG 1 8.850 1.502 -1.835 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -3.156 -3.070 -0.263 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -4.042 -1.863 -0.054 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.022 -0.762 -0.921 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -4.883 0.322 -0.720 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -5.799 0.331 0.343 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -5.819 -0.774 1.206 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.960 -1.860 1.006 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -6.710 1.471 0.548 0.00 0.00 -0.006 A ATOM 35 C LIG 1 -8.118 1.361 0.544 0.00 0.00 +0.044 A ATOM 36 C LIG 1 -8.925 2.475 0.834 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -8.349 3.716 1.092 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.965 3.851 1.074 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -6.157 2.741 0.810 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -8.845 0.099 0.249 0.00 0.00 +0.242 C ATOM 41 O LIG 1 -9.785 -0.271 0.940 0.00 0.00 -0.270 OA ATOM 42 N LIG 1 -8.450 -0.605 -0.851 0.00 0.00 -0.325 N ATOM 43 H LIG 1 -8.913 -1.484 -1.034 0.00 0.00 +0.145 HD ATOM 44 H LIG 1 -7.653 -0.347 -1.417 0.00 0.00 +0.145 HD ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 8