@MOLECULE FDBD01893 44 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6662 0.6979 -0.3776 C.3 1 UNK -0.0560 2 C1 -0.2120 -0.7631 -0.3677 C.3 1 UNK -0.0125 3 C2 0.4614 -1.0788 0.9693 C.3 1 UNK -0.0560 4 C3 -1.4256 -1.6757 -0.5556 C.3 1 UNK -0.0560 5 C4 0.7673 -0.9923 -1.4899 C.ar 1 UNK -0.0382 6 C5 1.3137 -2.2475 -1.6843 C.ar 1 UNK -0.0541 7 C6 2.2122 -2.4611 -2.7133 C.ar 1 UNK -0.0382 8 C7 2.5661 -1.4203 -3.5500 C.ar 1 UNK -0.0155 9 C8 2.0193 -0.1601 -3.3570 C.ar 1 UNK 0.1338 10 C9 1.1141 0.0504 -2.3271 C.ar 1 UNK -0.0155 11 O 2.3663 0.8658 -4.1787 O.3 1 UNK -0.4115 12 C10 1.8118 0.8806 -5.4059 C.2 1 UNK 0.4053 13 O1 0.9684 0.0573 -5.7015 O.2 1 UNK -0.2260 14 N 2.1922 1.8087 -6.3061 N.am 1 UNK -0.2839 15 C11 1.5890 1.8249 -7.6410 C.3 1 UNK 0.0032 16 C12 2.8062 -3.8302 -2.9221 C.3 1 UNK -0.0125 17 C13 1.6860 -4.8361 -3.1943 C.3 1 UNK -0.0560 18 C14 3.7614 -3.7950 -4.1168 C.3 1 UNK -0.0560 19 C15 3.5744 -4.2496 -1.6671 C.3 1 UNK -0.0560 20 H 0.1984 1.3480 -0.2438 H 1 UNK 0.0238 21 H1 -1.1459 0.9229 -1.3301 H 1 UNK 0.0238 22 H2 -1.3745 0.8637 0.4341 H 1 UNK 0.0238 23 H3 -0.2470 -0.9131 1.7810 H 1 UNK 0.0238 24 H4 0.7849 -2.1197 0.9763 H 1 UNK 0.0238 25 H5 1.3260 -0.4287 1.1032 H 1 UNK 0.0238 26 H6 -1.9054 -1.4507 -1.5081 H 1 UNK 0.0238 27 H7 -1.1021 -2.7165 -0.5486 H 1 UNK 0.0238 28 H8 -2.1340 -1.5099 0.2561 H 1 UNK 0.0238 29 H9 1.0385 -3.0623 -1.0311 H 1 UNK 0.0623 30 H10 3.2682 -1.5875 -4.3534 H 1 UNK 0.0657 31 H11 0.6870 1.0307 -2.1749 H 1 UNK 0.0657 32 H12 2.8655 2.4660 -6.0701 H 1 UNK 0.1517 33 H13 0.5125 1.9706 -7.5515 H 1 UNK 0.0427 34 H14 2.0186 2.6395 -8.2241 H 1 UNK 0.0427 35 H15 1.7870 0.8767 -8.1407 H 1 UNK 0.0427 36 H16 1.1387 -4.5373 -4.0883 H 1 UNK 0.0238 37 H17 2.1156 -5.8264 -3.3452 H 1 UNK 0.0238 38 H18 1.0055 -4.8612 -2.3431 H 1 UNK 0.0238 39 H19 4.5595 -3.0784 -3.9229 H 1 UNK 0.0238 40 H20 4.1911 -4.7853 -4.2678 H 1 UNK 0.0238 41 H21 3.2141 -3.4962 -5.0108 H 1 UNK 0.0238 42 H22 2.8939 -4.2747 -0.8160 H 1 UNK 0.0238 43 H23 4.0041 -5.2399 -1.8181 H 1 UNK 0.0238 44 H24 4.3725 -3.5330 -1.4732 H 1 UNK 0.0238 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 1 22 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 23 1 9 3 24 1 10 3 25 1 11 4 26 1 12 4 27 1 13 4 28 1 14 5 10 ar 15 5 6 ar 16 6 7 ar 17 6 29 1 18 7 8 ar 19 7 16 1 20 8 9 ar 21 8 30 1 22 9 10 ar 23 9 11 1 24 10 31 1 25 11 12 1 26 12 13 2 27 12 14 am 28 14 15 1 29 14 32 1 30 15 33 1 31 15 34 1 32 15 35 1 33 16 17 1 34 16 18 1 35 16 19 1 36 17 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 18 41 1 42 19 42 1 43 19 43 1 44 19 44 1