RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 6.6587 -0.7304 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 0.1858 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1947 0.0808 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 1.2708 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6920 2.0599 0.3036 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 1.3839 0.0053 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0866 1.9670 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 1.6975 0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 2.4336 1.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 1.2518 -0.7201 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1372 1.4880 -0.4448 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8767 0.4621 0.4617 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5705 0.0340 -0.7281 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1184 0.9949 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 1.2997 -2.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4776 -0.9816 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 -1.8997 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4528 -1.9443 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0603 -0.9717 1.0726 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 -3.0142 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 -2.9516 1.8565 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 -1.3384 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7537 -0.3555 2.4803 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2892 0.8598 2.0917 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0835 0.7304 1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3751 -0.8974 0.5815 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7164 1.8487 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -1.0794 -1.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -2.1242 -2.6414 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3476 -0.1447 -1.9723 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4818 -1.0369 -1.2044 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8883 -2.1626 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 -0.7785 -1.9718 O 0 0 0 0 0 1 0 0 0 0 0 0 7.5357 -0.1761 -1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9671 -1.3813 -0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3268 -1.3607 -1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7175 1.1959 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5385 2.3545 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 2.7779 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 0.6200 -1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 2.5343 -0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.9302 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8951 -1.5872 2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1251 -2.9775 1.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 -3.9807 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 -3.0240 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8048 1.8204 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3637 2.8103 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4695 1.8058 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 16 28 1 0 28 29 2 0 28 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 6 2 1 0 14 11 1 0 19 12 1 0 26 22 1 0 1 34 1 0 1 35 1 0 1 36 1 0 7 37 1 0 7 38 1 0 7 39 1 0 10 40 1 0 11 41 1 1 12 42 1 1 18 43 1 0 18 44 1 0 20 45 1 0 20 46 1 0 27 47 1 0 27 48 1 0 27 49 1 0 M CHG 3 30 -1 31 1 33 -1 M END