@MOLECULE FDBD00331 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.6675 1.8769 -1.5054 S.3 1 UNK -0.1310 2 S1 6.5295 -0.3938 -0.7022 S.2 1 UNK -0.1011 3 O 1.0174 -0.2220 2.2852 O.2 1 UNK -0.2731 4 O1 -4.9465 0.1451 -0.6374 O.3 1 UNK -0.4603 5 O2 -2.6318 -1.1381 2.4507 O.co2 1 UNK -0.5433 6 O3 3.6904 1.2045 1.4572 O.2 1 UNK -0.2754 7 O4 -1.3252 -2.4701 1.1284 O.co2 1 UNK -0.5433 8 O5 -6.3534 -1.6078 -1.1716 O.2 1 UNK -0.2512 9 N -0.6392 0.6064 0.8258 N.am 1 UNK -0.2533 10 N1 2.0595 1.7317 -0.1074 N.am 1 UNK -0.3015 11 C -0.4868 1.9474 0.2915 C.3 1 UNK 0.1041 12 C1 0.9566 1.8977 0.8387 C.3 1 UNK 0.1283 13 C2 0.5181 0.5707 1.5214 C.2 1 UNK 0.2438 14 C3 -1.7072 -0.1917 0.5685 C.2 1 UNK 0.0631 15 C4 -2.5712 0.0853 -0.4370 C.2 1 UNK 0.0004 16 C5 -2.3746 1.2372 -1.4201 C.3 1 UNK 0.0219 17 C6 -3.8231 -0.7049 -0.7335 C.3 1 UNK 0.1164 18 C7 3.3513 1.3942 0.2903 C.2 1 UNK 0.2185 19 C8 -1.8465 -1.4044 1.3885 C.2 1 UNK 0.0860 20 C9 4.3262 1.2597 -0.8624 C.3 1 UNK 0.0553 21 C10 4.8579 -0.1460 -0.8943 C.ar 1 UNK -0.0015 22 C11 -6.1658 -0.4339 -0.8820 C.2 1 UNK 0.3043 23 C12 4.1529 -1.2998 -1.0645 C.ar 1 UNK -0.0511 24 C13 5.0099 -2.4379 -1.0373 C.ar 1 UNK -0.0545 25 C14 6.3286 -2.0881 -0.8471 C.ar 1 UNK -0.0241 26 C15 -7.2594 0.5817 -0.7442 C.3 1 UNK 0.0332 27 H 1.8814 1.8642 -1.0665 H 1 UNK 0.1495 28 H1 -1.1047 2.7901 0.5217 H 1 UNK 0.0644 29 H2 1.3743 2.7418 1.3466 H 1 UNK 0.0622 30 H3 -2.6524 0.8954 -2.3952 H 1 UNK 0.0424 31 H4 -2.9844 2.0436 -1.0697 H 1 UNK 0.0424 32 H5 -3.7645 -1.1091 -1.7225 H 1 UNK 0.0746 33 H6 -3.9175 -1.5040 -0.0282 H 1 UNK 0.0746 34 H7 5.1360 1.9463 -0.7290 H 1 UNK 0.0412 35 H8 3.8279 1.4780 -1.7838 H 1 UNK 0.0412 36 H9 3.1303 -1.3436 -1.1961 H 1 UNK 0.0626 37 H10 4.6812 -3.4100 -1.1472 H 1 UNK 0.0623 38 H11 7.1041 -2.7672 -0.7977 H 1 UNK 0.0693 39 H12 -6.8354 1.5296 -0.4859 H 1 UNK 0.0342 40 H13 -7.9379 0.2733 0.0236 H 1 UNK 0.0342 41 H14 -7.7856 0.6673 -1.6719 H 1 UNK 0.0342 @BOND 1 1 11 1 2 1 16 1 3 2 21 ar 4 2 25 ar 5 3 13 2 6 4 17 1 7 4 22 1 8 5 19 ar 9 6 18 2 10 7 19 ar 11 8 22 2 12 9 11 1 13 9 13 am 14 9 14 1 15 10 12 1 16 10 18 am 17 11 12 1 18 12 13 1 19 14 15 2 20 14 19 1 21 15 16 1 22 15 17 1 23 18 20 1 24 20 21 1 25 21 23 ar 26 22 26 1 27 23 24 ar 28 24 25 ar 29 10 27 1 30 11 28 1 31 12 29 1 32 16 30 1 33 16 31 1 34 17 32 1 35 17 33 1 36 20 34 1 37 20 35 1 38 23 36 1 39 24 37 1 40 25 38 1 41 26 39 1 42 26 40 1 43 26 41 1