HEADER PROTEIN 29-SEP-20 NONE TITLE NULL COMPND MOLECULE: Sch 20561 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-SEP-20 0 HETATM 1 C UNK 0 26.934 9.336 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 26.164 8.002 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 24.624 8.002 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 23.854 6.668 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 22.314 6.668 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 21.544 5.335 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 20.004 5.335 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 19.234 4.001 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 17.694 4.001 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 16.924 2.667 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 15.384 2.667 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 14.614 1.334 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 13.074 1.334 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 12.304 0.000 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 13.074 -1.334 0.000 0.00 0.00 O+0 HETATM 16 N UNK 0 10.764 0.000 0.000 0.00 0.00 N+0 HETATM 17 C UNK 0 9.994 -1.334 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 10.764 -2.667 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 9.994 -4.001 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 8.454 -1.334 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 7.966 -2.482 0.000 0.00 0.00 O+0 HETATM 22 N UNK 0 7.684 0.000 0.000 0.00 0.00 N+0 HETATM 23 C UNK 0 6.144 0.000 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.951 1.528 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 5.384 2.960 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 4.479 4.206 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 5.567 4.814 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 3.292 5.187 0.000 0.00 0.00 C+0 HETATM 29 N UNK 0 1.899 5.843 0.000 0.00 0.00 N+0 HETATM 30 C UNK 0 0.386 6.131 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 0.482 7.668 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.151 6.035 0.000 0.00 0.00 C+0 HETATM 33 N UNK 0 -2.616 5.559 0.000 0.00 0.00 N+0 HETATM 34 C UNK 0 -3.916 4.734 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -4.898 5.920 0.000 0.00 0.00 O+0 HETATM 36 C UNK 0 -4.970 3.611 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 -5.712 2.262 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 -6.095 0.770 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -7.623 0.963 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -6.095 -0.770 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 -5.712 -2.262 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 -4.970 -3.611 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 -6.216 -4.516 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.916 -4.734 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -4.898 -5.920 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -6.416 -5.664 0.000 0.00 0.00 C+0 HETATM 47 N UNK 0 -2.616 -5.559 0.000 0.00 0.00 N+0 HETATM 48 C UNK 0 -1.151 -6.035 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -1.674 -7.167 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 0.386 -6.131 0.000 0.00 0.00 C+0 HETATM 51 N UNK 0 1.899 -5.843 0.000 0.00 0.00 N+0 HETATM 52 C UNK 0 3.292 -5.187 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 4.117 -6.488 0.000 0.00 0.00 O+0 HETATM 54 C UNK 0 4.479 -4.206 0.000 0.00 0.00 C+0 HETATM 55 N UNK 0 5.384 -2.960 0.000 0.00 0.00 N+0 HETATM 56 C UNK 0 5.951 -1.528 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 7.112 -1.983 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 5.601 -5.260 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 5.249 -6.759 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 7.075 -4.815 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 0.482 -7.668 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -0.800 -8.521 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.180 -7.836 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -3.462 -8.688 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -3.366 -10.225 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -1.986 -10.910 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -0.704 -10.058 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 -4.648 -11.077 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 -7.623 -0.963 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.554 0.264 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -10.082 0.071 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 -10.679 -1.349 0.000 0.00 0.00 O+0 HETATM 73 N UNK 0 -11.013 1.297 0.000 0.00 0.00 N+0 HETATM 74 C UNK 0 -3.272 6.952 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -1.440 7.548 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -0.274 8.554 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 -2.894 8.054 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 4.117 6.488 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 5.656 6.423 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 6.612 7.630 0.000 0.00 0.00 C+0 HETATM 81 N UNK 0 8.056 7.093 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 7.991 5.554 0.000 0.00 0.00 C+0 HETATM 83 N UNK 0 6.508 5.140 0.000 0.00 0.00 N+0 HETATM 84 C UNK 0 7.442 1.911 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 15.384 0.000 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 85 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 CONECT 17 16 18 20 CONECT 18 17 19 CONECT 19 18 CONECT 20 17 21 22 CONECT 21 20 CONECT 22 20 23 CONECT 23 22 24 56 CONECT 24 23 25 84 CONECT 25 24 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 78 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 75 CONECT 33 32 34 74 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 CONECT 37 36 38 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 69 CONECT 41 40 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 47 CONECT 45 44 46 CONECT 46 45 CONECT 47 44 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 61 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 58 CONECT 55 54 56 CONECT 56 55 57 23 CONECT 57 56 CONECT 58 54 59 60 CONECT 59 58 CONECT 60 58 CONECT 61 50 62 CONECT 62 61 63 67 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 64 66 68 CONECT 66 65 67 CONECT 67 66 62 CONECT 68 65 CONECT 69 40 70 CONECT 70 69 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 CONECT 74 33 CONECT 75 32 76 77 CONECT 76 75 CONECT 77 75 CONECT 78 28 79 CONECT 79 78 80 83 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 79 CONECT 84 24 CONECT 85 12 MASTER 0 0 0 0 0 0 0 0 85 0 174 0 END