D0P5MY AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.062 1.942 1.666 1.00 0.00 C HETATM 2 C UNL 1 0.668 1.688 0.357 1.00 0.00 C HETATM 3 C UNL 1 1.624 1.410 -0.616 1.00 0.00 C HETATM 4 C UNL 1 2.984 1.402 -0.284 1.00 0.00 C HETATM 5 C UNL 1 3.402 1.680 1.027 1.00 0.00 C HETATM 6 C UNL 1 2.419 1.926 2.000 1.00 0.00 C HETATM 7 C UNL 1 4.878 1.672 1.390 1.00 0.00 C HETATM 8 O UNL 1 5.092 2.605 2.453 1.00 0.00 O HETATM 9 C UNL 1 6.366 2.826 2.883 1.00 0.00 C HETATM 10 C UNL 1 6.583 4.096 3.418 1.00 0.00 C HETATM 11 C UNL 1 7.825 4.459 3.950 1.00 0.00 C HETATM 12 C UNL 1 8.874 3.537 3.993 1.00 0.00 C HETATM 13 C UNL 1 8.650 2.259 3.445 1.00 0.00 C HETATM 14 C UNL 1 7.405 1.902 2.896 1.00 0.00 C HETATM 15 C UNL 1 10.251 3.886 4.531 1.00 0.00 C HETATM 16 CA UNL 1 10.331 4.899 5.694 1.00 0.00 C HETATM 17 N UNL 1 9.556 4.547 6.886 1.00 0.00 N HETATM 18 C UNL 1 9.726 3.404 7.619 1.00 0.00 C HETATM 19 C UNL 1 8.786 3.249 8.831 1.00 0.00 C HETATM 20 O UNL 1 9.108 2.163 9.553 1.00 0.00 O HETATM 21 C UNL 1 11.803 5.193 6.040 1.00 0.00 C HETATM 22 O UNL 1 12.488 4.159 6.581 1.00 0.00 O HETATM 23 OXT UNL 1 12.339 6.271 5.821 1.00 0.00 O HETATM 24 O UNL 1 10.596 2.563 7.416 1.00 0.00 O HETATM 25 O UNL 1 7.904 4.048 9.075 1.00 0.00 O HETATM 26 H UNL 1 0.320 2.158 2.430 1.00 0.00 H HETATM 27 H UNL 1 -0.391 1.709 0.096 1.00 0.00 H HETATM 28 H UNL 1 1.309 1.204 -1.636 1.00 0.00 H HETATM 29 H UNL 1 3.711 1.184 -1.063 1.00 0.00 H HETATM 30 H UNL 1 2.706 2.123 3.031 1.00 0.00 H HETATM 31 H UNL 1 5.470 1.980 0.519 1.00 0.00 H HETATM 32 H UNL 1 5.153 0.656 1.693 1.00 0.00 H HETATM 33 H UNL 1 5.770 4.819 3.410 1.00 0.00 H HETATM 34 H UNL 1 7.940 5.473 4.321 1.00 0.00 H HETATM 35 H UNL 1 9.449 1.519 3.445 1.00 0.00 H HETATM 36 H UNL 1 7.274 0.893 2.518 1.00 0.00 H HETATM 37 H UNL 1 10.840 4.274 3.688 1.00 0.00 H HETATM 38 H UNL 1 10.745 2.956 4.835 1.00 0.00 H HETATM 39 HA UNL 1 9.917 5.860 5.363 1.00 0.00 H HETATM 40 H UNL 1 8.794 5.161 7.173 1.00 0.00 H HETATM 41 H UNL 1 9.872 1.700 9.139 1.00 0.00 H HETATM 42 H UNL 1 11.945 3.354 6.750 1.00 0.00 H CONECT 1 2 6 26 CONECT 2 1 3 27 CONECT 3 2 4 28 CONECT 4 3 5 29 CONECT 5 4 6 7 CONECT 6 5 1 30 CONECT 7 5 8 31 32 CONECT 8 7 9 CONECT 9 8 10 14 CONECT 10 9 11 33 CONECT 11 10 12 34 CONECT 12 11 13 15 CONECT 13 12 14 35 CONECT 14 13 9 36 CONECT 15 12 16 37 38 CONECT 16 15 17 21 39 CONECT 17 16 18 40 CONECT 18 17 19 24 CONECT 19 18 20 25 CONECT 20 19 41 CONECT 21 16 22 23 CONECT 22 21 42 CONECT 23 21 CONECT 24 18 CONECT 25 19 CONECT 26 1 CONECT 27 2 CONECT 28 3 CONECT 29 4 CONECT 30 6 CONECT 31 7 CONECT 32 7 CONECT 33 10 CONECT 34 11 CONECT 35 13 CONECT 36 14 CONECT 37 15 CONECT 38 15 CONECT 39 16 CONECT 40 17 CONECT 41 20 CONECT 42 22 MASTER 0 0 0 0 0 0 0 0 42 0 42 0 END M END $$$$