REMARK Name = BDB064880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.294 0.380 -0.369 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.644 -0.648 0.218 0.00 0.00 +0.000 C ATOM 3 N LIG 1 -1.708 -0.230 1.087 0.00 0.00 +0.000 N ATOM 4 H LIG 1 -1.812 0.791 1.289 0.00 0.00 +0.000 HD ATOM 5 O LIG 1 -0.490 -1.871 -0.052 0.00 0.00 +0.000 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.549 -1.173 1.831 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 B LIG 1 -4.090 -0.908 1.473 0.00 0.00 +0.000 B ATOM 8 O LIG 1 -4.663 0.411 1.720 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -5.713 0.501 0.789 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -5.616 -0.761 -0.164 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -5.235 -0.435 -1.665 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -5.133 1.095 -1.952 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -6.336 1.860 -1.365 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -7.737 1.211 -1.501 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -6.438 3.302 -1.932 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -4.259 1.677 -0.842 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -7.017 0.509 1.616 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -5.552 1.836 -0.019 0.00 0.00 +0.000 C ATOM 19 O LIG 1 -4.689 -1.660 0.380 0.00 0.00 +0.000 OA ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 -2.270 -1.022 3.347 0.00 0.00 +0.000 C BRANCH 20 21 ATOM 21 C LIG 1 -2.580 -2.261 4.227 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -4.054 -2.683 4.182 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -1.659 -3.450 3.917 0.00 0.00 +0.000 C ENDBRANCH 20 21 ENDBRANCH 6 20 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 24 ATOM 24 N LIG 1 1.478 -0.262 -0.956 0.00 0.00 +0.000 N ATOM 25 H LIG 1 1.340 -1.007 -1.675 0.00 0.00 +0.000 HD ATOM 26 C LIG 1 2.819 0.155 -0.653 0.00 0.00 +0.000 C ATOM 27 O LIG 1 3.018 1.250 -0.060 0.00 0.00 +0.000 OA BRANCH 26 28 ATOM 28 C LIG 1 3.980 -0.664 -1.069 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.915 -2.071 -1.089 0.00 0.00 +0.000 A ATOM 30 F LIG 1 2.800 -2.728 -0.678 0.00 0.00 +0.000 F ATOM 31 C LIG 1 5.024 -2.820 -1.494 0.00 0.00 +0.000 A ATOM 32 C LIG 1 6.208 -2.182 -1.868 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.303 -0.783 -1.821 0.00 0.00 +0.000 A ATOM 34 C LIG 1 5.182 -0.031 -1.432 0.00 0.00 +0.000 A BRANCH 33 35 ATOM 35 C LIG 1 7.581 -0.090 -2.230 0.00 0.00 +0.000 C BRANCH 35 36 ATOM 36 C LIG 1 8.092 0.819 -1.138 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.668 0.342 0.063 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.080 1.285 1.037 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.649 0.838 2.245 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.813 -0.526 2.485 0.00 0.00 +0.000 A ATOM 41 C LIG 1 9.418 -1.458 1.526 0.00 0.00 +0.000 A ATOM 42 C LIG 1 8.912 2.654 0.772 0.00 0.00 +0.000 A ATOM 43 O LIG 1 9.267 3.526 1.613 0.00 0.00 +0.000 OA ATOM 44 N LIG 1 8.363 3.046 -0.407 0.00 0.00 +0.000 N ATOM 45 H LIG 1 8.239 4.064 -0.607 0.00 0.00 +0.000 HD ATOM 46 C LIG 1 8.852 -1.033 0.323 0.00 0.00 +0.000 A ATOM 47 N LIG 1 7.968 2.160 -1.320 0.00 0.00 +0.000 NA ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 1 24 BRANCH 1 48 ATOM 48 C LIG 1 -0.402 1.279 -1.410 0.00 0.00 +0.000 C BRANCH 48 50 ATOM 49 C LIG 1 -1.634 1.456 -3.609 0.00 0.00 +0.000 C ATOM 50 C LIG 1 -1.043 0.503 -2.574 0.00 0.00 +0.000 C ENDBRANCH 48 50 ENDBRANCH 1 48 TORSDOF 11