REMARK Name = BDB052609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.249 0.137 1.744 0.00 0.00 +0.134 A ATOM 2 C LIG 1 -3.589 -0.237 1.544 0.00 0.00 +0.088 A ATOM 3 C LIG 1 -4.284 -0.667 2.663 0.00 0.00 +0.233 A ATOM 4 O LIG 1 -5.569 -0.960 2.333 0.00 0.00 -0.436 OA ATOM 5 C LIG 1 -5.725 -0.737 0.991 0.00 0.00 +0.146 A ATOM 6 N LIG 1 -3.820 -0.789 3.913 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.537 -0.428 3.988 0.00 0.00 +0.227 A ATOM 8 C LIG 1 -4.519 -0.303 0.459 0.00 0.00 +0.041 A ATOM 9 N LIG 1 -1.744 0.018 2.996 0.00 0.00 -0.220 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -7.070 -1.013 0.483 0.00 0.00 +0.018 A ATOM 11 C LIG 1 -8.189 -0.844 1.315 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -9.481 -1.095 0.847 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -9.675 -1.523 -0.463 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -8.578 -1.704 -1.302 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.285 -1.452 -0.831 0.00 0.00 +0.011 A ENDBRANCH 5 10 BRANCH 8 16 ATOM 16 C LIG 1 -4.306 0.032 -0.933 0.00 0.00 -0.014 A ATOM 17 C LIG 1 -4.809 1.227 -1.458 0.00 0.00 +0.008 A ATOM 18 C LIG 1 -4.580 1.552 -2.796 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -3.847 0.688 -3.610 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.343 -0.504 -3.090 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -3.570 -0.833 -1.754 0.00 0.00 +0.008 A ENDBRANCH 8 16 BRANCH 1 22 ATOM 22 N LIG 1 -1.451 0.653 0.723 0.00 0.00 -0.328 N ATOM 23 H LIG 1 -1.816 0.450 -0.201 0.00 0.00 +0.147 HD BRANCH 22 24 ATOM 24 C LIG 1 -0.013 0.460 0.876 0.00 0.00 +0.107 C BRANCH 24 25 ATOM 25 C LIG 1 0.721 1.107 -0.305 0.00 0.00 +0.054 C BRANCH 25 29 ATOM 26 C LIG 1 5.003 0.526 -0.026 0.00 0.00 +0.034 A ATOM 27 C LIG 1 4.386 1.609 0.613 0.00 0.00 +0.023 A ATOM 28 C LIG 1 3.004 1.802 0.519 0.00 0.00 +0.005 A ATOM 29 C LIG 1 2.214 0.916 -0.220 0.00 0.00 -0.046 A ATOM 30 C LIG 1 2.830 -0.167 -0.856 0.00 0.00 +0.005 A ATOM 31 C LIG 1 4.214 -0.357 -0.762 0.00 0.00 +0.023 A BRANCH 26 34 ATOM 32 O LIG 1 6.849 -1.634 -0.930 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 7.209 -0.611 -0.360 0.00 0.00 +0.248 C ATOM 34 N LIG 1 6.402 0.407 0.114 0.00 0.00 -0.282 N ATOM 35 H LIG 1 6.845 1.116 0.682 0.00 0.00 +0.155 HD BRANCH 33 36 ATOM 36 C LIG 1 8.664 -0.428 -0.092 0.00 0.00 +0.037 A ATOM 37 C LIG 1 9.272 0.833 -0.158 0.00 0.00 +0.013 A ATOM 38 C LIG 1 10.639 0.961 0.100 0.00 0.00 +0.001 A ATOM 39 C LIG 1 11.400 -0.165 0.414 0.00 0.00 +0.000 A ATOM 40 C LIG 1 10.802 -1.424 0.463 0.00 0.00 +0.001 A ATOM 41 C LIG 1 9.436 -1.557 0.205 0.00 0.00 +0.013 A ENDBRANCH 33 36 ENDBRANCH 26 34 ENDBRANCH 25 29 ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 TORSDOF 8