@MOLECULE DB07404 49 51 1 SMALL USER_CHARGES @ATOM 1 P1 2.8364 1.2175 5.6000 P 1 noname 0.0364 2 O1 1.8868 1.1525 6.6807 O.2 1 noname -0.2175 3 O2 3.9623 2.2029 5.9646 O.3 1 noname -0.1845 4 O3 3.4358 -0.1804 5.3587 O.3 1 noname -0.1845 5 C1 2.0758 1.7339 4.2299 C.3 1 noname 0.2812 6 P2 3.1638 1.8083 2.9916 P 1 noname 0.0364 7 O4 1.5231 3.0228 4.4524 O.3 1 noname -0.3642 8 C2 0.9572 0.7549 3.8677 C.3 1 noname 0.0289 9 O5 3.7645 3.1166 2.9585 O.2 1 noname -0.2175 10 O6 4.2582 0.7461 3.2054 O.3 1 noname -0.1845 11 O7 2.4424 1.5408 1.6576 O.3 1 noname -0.1845 12 C3 0.2842 1.2118 2.6553 C.2 1 noname -0.0484 13 C4 0.7368 0.7934 1.4094 C.2 1 noname -0.0414 14 C5 -0.8092 2.0651 2.7469 C.2 1 noname -0.0543 15 C6 0.0961 1.2284 0.2552 C.2 1 noname -0.0389 16 C7 -1.4499 2.5001 1.5926 C.2 1 noname -0.0557 17 C8 0.5487 0.8100 -0.9907 C.2 1 noname -0.0364 18 C9 -0.9973 2.0818 0.3468 C.2 1 noname -0.0469 19 C10 -0.0920 1.2450 -2.1450 C.2 1 noname -0.0337 20 C11 1.6421 -0.0434 -1.0823 C.2 1 noname -0.0466 21 C12 0.3607 0.8266 -3.3908 C.2 1 noname -0.0364 22 C13 2.0948 -0.4617 -2.3281 C.2 1 noname -0.0532 23 C14 -0.2801 1.2616 -4.5451 C.2 1 noname -0.0409 24 C15 1.4540 -0.0267 -3.4824 C.2 1 noname -0.0466 25 C16 -1.6385 1.5547 -4.5175 C.2 1 noname -0.0475 26 C17 0.4377 1.4036 -5.7270 C.2 1 noname -0.0475 27 C18 -2.2793 1.9898 -5.6718 C.2 1 noname -0.0576 28 C19 -0.2030 1.8386 -6.8812 C.2 1 noname -0.0576 29 C20 -1.5615 2.1317 -6.8537 C.2 1 noname -0.0604 30 H1 4.0350 2.2665 6.9197 H 1 noname 0.2260 31 H2 3.6162 -0.6012 6.2024 H 1 noname 0.2260 32 H3 1.4544 3.1829 5.3965 H 1 noname 0.2129 33 H4 1.4227 -0.1969 3.6116 H 1 noname 0.0363 34 H5 0.2104 0.8004 4.6604 H 1 noname 0.0363 35 H6 4.3955 0.6129 4.1462 H 1 noname 0.2260 36 H7 2.3673 0.5938 1.5187 H 1 noname 0.2260 37 H8 1.5942 0.1242 1.3376 H 1 noname 0.0632 38 H9 -1.1642 2.3932 3.7239 H 1 noname 0.0625 39 H10 -2.3073 3.1693 1.6644 H 1 noname 0.0622 40 H11 -1.4997 2.4229 -0.5584 H 1 noname 0.0629 41 H12 -0.9494 1.9142 -2.0731 H 1 noname 0.0635 42 H13 2.1445 -0.3845 -0.1771 H 1 noname 0.0629 43 H14 2.9522 -1.1309 -2.4000 H 1 noname 0.0623 44 H15 1.8090 -0.3548 -4.4594 H 1 noname 0.0629 45 H16 -2.2014 1.4435 -3.5907 H 1 noname 0.0629 46 H17 1.5029 1.1737 -5.7486 H 1 noname 0.0629 47 H18 -3.3445 2.2196 -5.6501 H 1 noname 0.0622 48 H19 0.3598 1.9498 -7.8080 H 1 noname 0.0622 49 H20 -2.0640 2.4728 -7.7588 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 6 9 2 9 6 10 1 10 6 11 1 11 8 12 1 12 12 13 2 13 12 14 1 14 13 15 1 15 14 16 2 16 15 17 1 17 15 18 2 18 16 18 1 19 17 19 2 20 17 20 1 21 19 21 1 22 20 22 2 23 21 23 1 24 21 24 2 25 22 24 1 26 23 25 2 27 23 26 1 28 25 27 1 29 26 28 2 30 27 29 2 31 28 29 1 32 3 30 1 33 4 31 1 34 7 32 1 35 8 33 1 36 8 34 1 37 10 35 1 38 11 36 1 39 13 37 1 40 14 38 1 41 16 39 1 42 18 40 1 43 19 41 1 44 20 42 1 45 22 43 1 46 24 44 1 47 25 45 1 48 26 46 1 49 27 47 1 50 28 48 1 51 29 49 1 @SUBSTRUCTURE 1 noname 1