@MOLECULE FDBD00227 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.0843 0.8725 -2.0766 S.3 1 UNK -0.1111 2 O -1.2423 1.3982 1.7564 O.3 1 UNK -0.4506 3 O1 -0.0620 -0.9584 1.6291 O.2 1 UNK -0.2711 4 O2 -5.9447 -1.3799 -0.9650 O.3 1 UNK -0.4951 5 O3 0.4519 1.3760 3.3269 O.2 1 UNK -0.2511 6 N 1.7616 -0.1508 0.4361 N.am 1 UNK -0.2622 7 N1 3.9701 -3.1589 0.1749 N.4 1 UNK 0.2320 8 C -0.9826 1.3472 -0.6617 C.3 1 UNK 0.0805 9 C1 -0.2912 1.2407 0.7067 C.3 1 UNK 0.1947 10 C2 0.4551 -0.0697 0.9451 C.2 1 UNK 0.2623 11 C3 2.6071 -1.2569 0.8853 C.3 1 UNK 0.0600 12 C4 2.3644 0.8365 -0.4148 C.ar 1 UNK 0.0500 13 C5 -2.3160 0.6143 -0.7436 C.ar 1 UNK -0.0299 14 C6 1.6821 1.4295 -1.4980 C.ar 1 UNK 0.0300 15 C7 3.1078 -2.0810 -0.2918 C.3 1 UNK -0.0158 16 C8 3.7002 1.2148 -0.1793 C.ar 1 UNK -0.0392 17 C9 2.3287 2.3981 -2.2849 C.ar 1 UNK -0.0465 18 C10 -2.3564 -0.7697 -0.5931 C.ar 1 UNK -0.0539 19 C11 -3.4887 1.3314 -0.9677 C.ar 1 UNK -0.0539 20 C12 4.3276 2.1847 -0.9629 C.ar 1 UNK -0.0599 21 C13 3.6393 2.7820 -2.0106 C.ar 1 UNK -0.0606 22 C14 -3.5770 -1.4408 -0.6673 C.ar 1 UNK -0.0197 23 C15 -4.7094 0.6602 -1.0417 C.ar 1 UNK -0.0197 24 C16 3.2482 -4.0338 1.1010 C.3 1 UNK -0.0433 25 C17 4.4864 -3.9333 -0.9556 C.3 1 UNK -0.0433 26 C18 -4.7534 -0.7258 -0.8915 C.ar 1 UNK 0.1201 27 C19 -0.7319 1.4515 3.0266 C.2 1 UNK 0.3047 28 C20 -1.8409 1.6185 4.0206 C.3 1 UNK 0.0333 29 C21 -5.9185 -2.7973 -0.8026 C.3 1 UNK 0.0788 30 H 4.7586 -2.7426 0.6702 H 1 UNK 0.2028 31 H1 -1.1850 2.3945 -0.7463 H 1 UNK 0.0506 32 H2 0.4359 2.0257 0.7041 H 1 UNK 0.0848 33 H3 2.0392 -1.8880 1.5365 H 1 UNK 0.0521 34 H4 3.4535 -0.8495 1.3977 H 1 UNK 0.0521 35 H5 2.2709 -2.4986 -0.8116 H 1 UNK 0.0830 36 H6 3.6676 -1.4469 -0.9471 H 1 UNK 0.0830 37 H7 4.2255 0.7663 0.5875 H 1 UNK 0.0636 38 H8 1.8261 2.8303 -3.0759 H 1 UNK 0.0629 39 H9 -1.4853 -1.2975 -0.4271 H 1 UNK 0.0622 40 H10 -3.4547 2.3568 -1.0787 H 1 UNK 0.0622 41 H11 5.3027 2.4578 -0.7637 H 1 UNK 0.0618 42 H12 4.0971 3.5077 -2.5840 H 1 UNK 0.0618 43 H13 -3.6096 -2.4663 -0.5563 H 1 UNK 0.0654 44 H14 -5.5799 1.1891 -1.2076 H 1 UNK 0.0654 45 H15 2.4166 -4.4791 0.5960 H 1 UNK 0.0777 46 H16 2.8951 -3.4597 1.9320 H 1 UNK 0.0777 47 H17 3.9054 -4.8019 1.4516 H 1 UNK 0.0777 48 H18 3.6702 -4.3772 -1.4863 H 1 UNK 0.0777 49 H19 5.1369 -4.7020 -0.5939 H 1 UNK 0.0777 50 H20 5.0294 -3.2865 -1.6127 H 1 UNK 0.0777 51 H21 -2.7782 1.6574 3.5060 H 1 UNK 0.0342 52 H22 -1.6961 2.5269 4.5672 H 1 UNK 0.0342 53 H23 -1.8401 0.7905 4.6983 H 1 UNK 0.0342 54 H24 -6.9131 -3.1838 -0.8819 H 1 UNK 0.0660 55 H25 -5.5177 -3.0387 0.1597 H 1 UNK 0.0660 56 H26 -5.3051 -3.2322 -1.5638 H 1 UNK 0.0660 @BOND 1 1 8 1 2 1 14 1 3 2 9 1 4 2 27 1 5 3 10 2 6 4 26 1 7 4 29 1 8 5 27 2 9 6 10 am 10 6 11 1 11 6 12 1 12 7 15 1 13 7 24 1 14 7 25 1 15 8 9 1 16 8 13 1 17 9 10 1 18 11 15 1 19 12 14 ar 20 12 16 ar 21 13 18 ar 22 13 19 ar 23 14 17 ar 24 16 20 ar 25 17 21 ar 26 18 22 ar 27 19 23 ar 28 20 21 ar 29 22 26 ar 30 23 26 ar 31 27 28 1 32 7 30 1 33 8 31 1 34 9 32 1 35 11 33 1 36 11 34 1 37 15 35 1 38 15 36 1 39 16 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 21 42 1 45 22 43 1 46 23 44 1 47 24 45 1 48 24 46 1 49 24 47 1 50 25 48 1 51 25 49 1 52 25 50 1 53 28 51 1 54 28 52 1 55 28 53 1 56 29 54 1 57 29 55 1 58 29 56 1