@MOLECULE DB03543 41 41 1 SMALL USER_CHARGES @ATOM 1 P1 -7.4495 -1.5759 -4.9832 P 1 noname 0.0149 2 O1 -8.2175 -2.5834 -5.6678 O.2 1 noname -0.1967 3 O2 -6.2511 -2.2361 -4.2764 O.3 1 noname -0.1525 4 O3 -6.9379 -0.5401 -6.0016 O.3 1 noname -0.1645 5 O4 -8.3381 -0.8740 -3.9395 O.3 1 noname -0.1645 6 C1 -5.4937 -1.2426 -3.6013 C.3 1 noname 0.0911 7 C2 -4.3031 -1.8985 -2.8991 C.3 1 noname 0.1069 8 O5 -3.4837 -2.5457 -3.8615 O.3 1 noname -0.3878 9 C3 -3.4870 -0.8281 -2.1717 C.3 1 noname 0.1093 10 O6 -4.3064 -0.1809 -1.2093 O.3 1 noname -0.3875 11 C4 -2.2964 -1.4840 -1.4695 C.3 1 noname 0.0954 12 O7 -2.7681 -2.4390 -0.5305 O.3 1 noname -0.3889 13 C5 -1.4803 -0.4135 -0.7421 C.3 1 noname 0.0288 14 N1 -0.3831 -1.0180 -0.0950 N.3 1 noname -0.1318 15 C6 0.3316 -0.0805 0.5421 C.2 1 noname 0.0167 16 C7 1.3725 0.5656 -0.1146 C.2 1 noname -0.0176 17 C8 0.0321 0.2459 1.8596 C.2 1 noname -0.0523 18 C9 1.6720 0.2392 -1.4321 C.2 1 noname 0.0842 19 C10 2.1139 1.5381 0.5463 C.2 1 noname -0.0102 20 C11 0.7735 1.2184 2.5205 C.2 1 noname -0.0387 21 O8 2.6081 0.8202 -2.0226 O.2 1 noname -0.2587 22 O9 0.9520 -0.7053 -2.0739 O.3 1 noname -0.2184 23 C12 1.8144 1.8645 1.8638 C.2 1 noname -0.0750 24 H1 -6.5666 0.2117 -5.5343 H 1 noname 0.2283 25 H2 -8.0413 -1.1084 -3.0571 H 1 noname 0.2283 26 H3 -5.1066 -0.5902 -4.3840 H 1 noname 0.0605 27 H4 -6.1577 -0.8409 -2.8359 H 1 noname 0.0605 28 H5 -4.6269 -2.6843 -2.2167 H 1 noname 0.0653 29 H6 -2.8177 -3.0717 -3.4129 H 1 noname 0.2106 30 H7 -3.1632 -0.0423 -2.8541 H 1 noname 0.0656 31 H8 -4.0096 -0.4153 -0.3269 H 1 noname 0.2106 32 H9 -1.6802 -2.0456 -2.1716 H 1 noname 0.0642 33 H10 -2.6093 -2.1176 0.3601 H 1 noname 0.2106 34 H11 -1.0449 0.2487 -1.4904 H 1 noname 0.0459 35 H12 -2.0960 -0.0020 0.0577 H 1 noname 0.0459 36 H13 -0.1399 -1.9982 -0.0886 H 1 noname 0.1282 37 H14 -0.7841 -0.2607 2.3746 H 1 noname 0.0639 38 H15 2.9301 2.0447 0.0314 H 1 noname 0.0631 39 H16 0.5386 1.4744 3.5536 H 1 noname 0.0623 40 H17 0.5204 -1.2714 -1.4298 H 1 noname 0.2216 41 H18 2.3957 2.6271 2.3820 H 1 noname 0.0622 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 15 16 2 16 15 17 1 17 16 18 1 18 16 19 1 19 17 20 2 20 18 21 2 21 18 22 1 22 19 23 2 23 20 23 1 24 4 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 7 28 1 29 8 29 1 30 9 30 1 31 10 31 1 32 11 32 1 33 12 33 1 34 13 34 1 35 13 35 1 36 14 36 1 37 17 37 1 38 19 38 1 39 20 39 1 40 22 40 1 41 23 41 1 @SUBSTRUCTURE 1 noname 1