@MOLECULE DB02360 44 47 1 SMALL USER_CHARGES @ATOM 1 P1 3.0207 -1.6722 -1.6563 P 1 noname 0.0214 2 O1 3.0395 -3.0814 -1.3605 O.2 1 noname -0.2265 3 O2 4.4612 -1.1755 -1.8801 O.3 1 noname -0.1914 4 O3 2.1892 -1.4257 -2.9288 O.3 1 noname -0.1914 5 C1 2.3470 -0.8538 -0.3919 C.3 1 noname 0.1544 6 C2 0.9046 -0.7494 -0.5930 C.2 1 noname -0.0303 7 C3 2.9257 0.4844 -0.3146 C.2 1 noname 0.1024 8 C4 0.0520 -0.6967 0.5035 C.2 1 noname -0.0316 9 C5 0.3841 -0.7026 -1.8810 C.2 1 noname -0.0451 10 O4 2.8115 1.2714 -1.2790 O.2 1 noname -0.2909 11 C6 3.6037 0.8832 0.8314 C.2 1 noname -0.0125 12 C7 -1.3211 -0.5973 0.3121 C.2 1 noname -0.0383 13 C8 0.5726 -0.7435 1.7915 C.2 1 noname -0.0446 14 C9 -0.9891 -0.6032 -2.0725 C.2 1 noname -0.0536 15 C10 4.1547 2.1572 0.9050 C.2 1 noname -0.0033 16 C11 3.7307 0.0081 1.9038 C.2 1 noname -0.0120 17 C12 -1.8417 -0.5505 -0.9759 C.2 1 noname -0.0467 18 C13 -2.1737 -0.5447 1.4086 C.2 1 noname -0.0472 19 C14 -0.2800 -0.6909 2.8881 C.2 1 noname -0.0565 20 C15 4.8327 2.5561 2.0510 C.2 1 noname -0.0282 21 C16 4.4088 0.4069 3.0498 C.2 1 noname -0.0335 22 C17 -1.6532 -0.5915 2.6966 C.2 1 noname -0.0569 23 C18 4.9597 1.6809 3.1234 C.2 1 noname -0.0225 24 C19 5.3837 3.8301 2.1246 C.2 1 noname -0.0461 25 C20 5.6378 2.0797 4.2694 C.2 1 noname -0.0442 26 C21 6.0617 4.2289 3.2706 C.2 1 noname -0.0568 27 C22 6.1888 3.3537 4.3430 C.2 1 noname -0.0567 28 H1 4.8848 -1.0294 -1.0311 H 1 noname 0.2259 29 H2 1.9372 -2.2680 -3.3145 H 1 noname 0.2259 30 H3 2.4818 -1.2973 0.5946 H 1 noname 0.0591 31 H4 1.0527 -0.7438 -2.7409 H 1 noname 0.0626 32 H5 1.6494 -0.8215 1.9417 H 1 noname 0.0629 33 H6 -1.3973 -0.5665 -3.0825 H 1 noname 0.0622 34 H7 4.0551 2.8435 0.0641 H 1 noname 0.0636 35 H8 3.2987 -0.9910 1.8461 H 1 noname 0.0630 36 H9 -2.9185 -0.4726 -1.1261 H 1 noname 0.0629 37 H10 -3.2505 -0.4667 1.2585 H 1 noname 0.0629 38 H11 0.1282 -0.7276 3.8981 H 1 noname 0.0622 39 H12 4.5084 -0.2794 3.8908 H 1 noname 0.0629 40 H13 -2.3218 -0.5502 3.5565 H 1 noname 0.0622 41 H14 5.2841 4.5164 1.2837 H 1 noname 0.0629 42 H15 5.7374 1.3934 5.1104 H 1 noname 0.0629 43 H16 6.4938 5.2280 3.3284 H 1 noname 0.0622 44 H17 6.7204 3.6665 5.2417 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 5 1 1 5 5 6 1 6 5 7 1 7 6 8 1 8 6 9 2 9 7 10 2 10 7 11 1 11 8 12 1 12 8 13 2 13 9 14 1 14 11 15 2 15 11 16 1 16 12 17 1 17 12 18 2 18 13 19 1 19 14 17 2 20 15 20 1 21 16 21 2 22 18 22 1 23 19 22 2 24 20 23 1 25 20 24 2 26 21 23 1 27 23 25 2 28 24 26 1 29 25 27 1 30 26 27 2 31 3 28 1 32 4 29 1 33 5 30 1 34 9 31 1 35 13 32 1 36 14 33 1 37 15 34 1 38 16 35 1 39 17 36 1 40 18 37 1 41 19 38 1 42 21 39 1 43 22 40 1 44 24 41 1 45 25 42 1 46 26 43 1 47 27 44 1 @SUBSTRUCTURE 1 noname 1