REMARK Name = BDB064873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.179 -1.025 -0.665 0.00 0.00 +0.000 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 -1.471 0.870 -1.067 0.00 0.00 +0.000 N ATOM 3 H LIG 1 -1.432 0.623 -2.082 0.00 0.00 +0.000 HD ATOM 4 C LIG 1 -0.632 0.141 -0.158 0.00 0.00 +0.000 C ATOM 5 O LIG 1 -0.591 0.455 1.064 0.00 0.00 +0.000 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.401 1.919 -0.641 0.00 0.00 +0.000 C BRANCH 6 7 ATOM 7 B LIG 1 -3.909 1.445 -0.938 0.00 0.00 +0.000 B ATOM 8 O LIG 1 -4.881 1.539 0.141 0.00 0.00 +0.000 OA ATOM 9 C LIG 1 -5.128 0.184 0.427 0.00 0.00 +0.000 C ATOM 10 C LIG 1 -4.682 -0.635 -0.868 0.00 0.00 +0.000 C ATOM 11 C LIG 1 -5.853 -1.403 -1.607 0.00 0.00 +0.000 C ATOM 12 C LIG 1 -7.242 -1.186 -0.940 0.00 0.00 +0.000 C ATOM 13 C LIG 1 -7.168 -1.450 0.576 0.00 0.00 +0.000 C ATOM 14 C LIG 1 -8.577 -1.614 1.205 0.00 0.00 +0.000 C ATOM 15 C LIG 1 -6.303 -2.649 1.044 0.00 0.00 +0.000 C ATOM 16 C LIG 1 -7.356 0.312 -0.649 0.00 0.00 +0.000 C ATOM 17 C LIG 1 -4.307 -0.164 1.694 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.662 0.018 0.695 0.00 0.00 +0.000 C ATOM 19 O LIG 1 -4.120 0.278 -1.775 0.00 0.00 +0.000 OA ENDBRANCH 6 7 BRANCH 6 20 ATOM 20 C LIG 1 -2.062 3.230 -1.380 0.00 0.00 +0.000 C BRANCH 20 22 ATOM 21 C LIG 1 -2.459 4.885 0.533 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -2.855 4.470 -0.892 0.00 0.00 +0.000 C ATOM 23 C LIG 1 -2.628 5.644 -1.852 0.00 0.00 +0.000 C ENDBRANCH 20 22 ENDBRANCH 6 20 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 1.290 -1.322 0.248 0.00 0.00 +0.000 N ATOM 25 H LIG 1 1.070 -1.592 1.234 0.00 0.00 +0.000 HD ATOM 26 C LIG 1 2.668 -1.255 -0.152 0.00 0.00 +0.000 C ATOM 27 O LIG 1 2.968 -1.265 -1.378 0.00 0.00 +0.000 OA BRANCH 26 28 ATOM 28 C LIG 1 3.751 -1.215 0.859 0.00 0.00 +0.000 A ATOM 29 C LIG 1 3.575 -0.566 2.097 0.00 0.00 +0.000 A ATOM 30 F LIG 1 2.422 0.086 2.391 0.00 0.00 +0.000 F ATOM 31 C LIG 1 4.613 -0.544 3.032 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.837 -1.148 2.741 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.043 -1.771 1.501 0.00 0.00 +0.000 A ATOM 34 C LIG 1 4.993 -1.809 0.568 0.00 0.00 +0.000 A BRANCH 33 35 ATOM 35 C LIG 1 7.372 -2.413 1.188 0.00 0.00 +0.000 C BRANCH 35 36 ATOM 36 C LIG 1 8.491 -1.400 1.219 0.00 0.00 +0.000 A ATOM 37 C LIG 1 8.702 -0.442 0.200 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.760 0.488 0.354 0.00 0.00 +0.000 A ATOM 39 C LIG 1 9.988 1.457 -0.641 0.00 0.00 +0.000 A ATOM 40 C LIG 1 9.181 1.504 -1.778 0.00 0.00 +0.000 A ATOM 41 C LIG 1 8.145 0.586 -1.939 0.00 0.00 +0.000 A ATOM 42 C LIG 1 10.564 0.419 1.503 0.00 0.00 +0.000 A ATOM 43 O LIG 1 11.514 1.231 1.680 0.00 0.00 +0.000 OA ATOM 44 N LIG 1 10.317 -0.534 2.438 0.00 0.00 +0.000 N ATOM 45 H LIG 1 10.916 -0.589 3.292 0.00 0.00 +0.000 HD ATOM 46 C LIG 1 7.905 -0.383 -0.963 0.00 0.00 +0.000 A ATOM 47 N LIG 1 9.318 -1.404 2.299 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 -0.704 -2.276 -0.899 0.00 0.00 +0.000 C ATOM 49 C LIG 1 -1.348 -2.817 0.383 0.00 0.00 +0.000 C BRANCH 48 50 ATOM 50 O LIG 1 0.063 -3.297 -1.482 0.00 0.00 +0.000 OA ATOM 51 H LIG 1 0.202 -3.045 -2.433 0.00 0.00 +0.000 HD ENDBRANCH 48 50 ENDBRANCH 1 48 TORSDOF 11