REMARK Name = BDB064862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.457 0.473 -2.884 0.00 0.00 +0.000 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 2.583 0.092 -1.572 0.00 0.00 +0.000 C ATOM 3 N LIG 1 1.335 -0.386 -2.092 0.00 0.00 +0.000 N ATOM 4 H LIG 1 1.065 -1.381 -1.920 0.00 0.00 +0.000 HD ATOM 5 O LIG 1 3.054 1.186 -1.989 0.00 0.00 +0.000 OA BRANCH 2 8 ATOM 6 C LIG 1 5.492 -1.389 0.357 0.00 0.00 +0.000 A ATOM 7 C LIG 1 4.746 -0.658 -0.583 0.00 0.00 +0.000 A ATOM 8 C LIG 1 3.341 -0.694 -0.572 0.00 0.00 +0.000 A ATOM 9 C LIG 1 2.683 -1.463 0.408 0.00 0.00 +0.000 A ATOM 10 F LIG 1 1.329 -1.469 0.505 0.00 0.00 +0.000 F ATOM 11 C LIG 1 3.424 -2.203 1.334 0.00 0.00 +0.000 A ATOM 12 C LIG 1 4.819 -2.174 1.305 0.00 0.00 +0.000 A BRANCH 6 13 ATOM 13 C LIG 1 7.000 -1.357 0.323 0.00 0.00 +0.000 C BRANCH 13 23 ATOM 14 C LIG 1 7.238 -0.120 3.040 0.00 0.00 +0.000 C ATOM 15 C LIG 1 7.634 0.653 1.799 0.00 0.00 +0.000 A ATOM 16 C LIG 1 8.116 1.986 1.870 0.00 0.00 +0.000 A ATOM 17 C LIG 1 8.257 2.704 3.194 0.00 0.00 +0.000 C ATOM 18 C LIG 1 8.463 2.642 0.673 0.00 0.00 +0.000 A ATOM 19 O LIG 1 8.897 3.826 0.685 0.00 0.00 +0.000 OA ATOM 20 N LIG 1 8.332 1.998 -0.514 0.00 0.00 +0.000 N ATOM 21 H LIG 1 8.588 2.487 -1.401 0.00 0.00 +0.000 HD ATOM 22 N LIG 1 7.878 0.749 -0.581 0.00 0.00 +0.000 NA ATOM 23 C LIG 1 7.527 0.044 0.525 0.00 0.00 +0.000 A ENDBRANCH 13 23 ENDBRANCH 6 13 ENDBRANCH 2 8 ENDBRANCH 1 3 BRANCH 1 24 ATOM 24 C LIG 1 -0.858 -0.203 -3.133 0.00 0.00 +0.000 C ATOM 25 N LIG 1 -1.707 -0.540 -2.027 0.00 0.00 +0.000 N ATOM 26 H LIG 1 -1.372 -0.294 -1.068 0.00 0.00 +0.000 HD ATOM 27 O LIG 1 -1.211 -0.466 -4.314 0.00 0.00 +0.000 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.006 -1.202 -2.208 0.00 0.00 +0.000 C BRANCH 28 29 ATOM 29 B LIG 1 -3.990 -0.960 -0.952 0.00 0.00 +0.000 B ATOM 30 O LIG 1 -5.263 -0.302 -1.210 0.00 0.00 +0.000 OA ATOM 31 C LIG 1 -5.083 0.938 -0.568 0.00 0.00 +0.000 C ATOM 32 C LIG 1 -3.918 0.722 0.498 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -4.358 0.895 2.010 0.00 0.00 +0.000 C ATOM 34 C LIG 1 -5.871 1.223 2.173 0.00 0.00 +0.000 C ATOM 35 C LIG 1 -6.280 2.389 1.253 0.00 0.00 +0.000 C ATOM 36 C LIG 1 -5.282 3.567 1.115 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -7.656 2.986 1.653 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -6.625 0.263 1.250 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -4.728 1.969 -1.668 0.00 0.00 +0.000 C ATOM 40 C LIG 1 -6.430 1.313 0.139 0.00 0.00 +0.000 C ATOM 41 O LIG 1 -3.428 -0.583 0.333 0.00 0.00 +0.000 OA ENDBRANCH 28 29 BRANCH 28 42 ATOM 42 C LIG 1 -2.848 -2.704 -2.555 0.00 0.00 +0.000 C BRANCH 42 43 ATOM 43 C LIG 1 -1.727 -3.469 -1.803 0.00 0.00 +0.000 C ATOM 44 C LIG 1 -1.960 -3.525 -0.287 0.00 0.00 +0.000 C ATOM 45 C LIG 1 -1.611 -4.894 -2.361 0.00 0.00 +0.000 C ENDBRANCH 42 43 ENDBRANCH 28 42 ENDBRANCH 25 28 ENDBRANCH 1 24 TORSDOF 9