@MOLECULE 76962727 31 31 1 SMALL USER_CHARGES @ATOM 1 P1 -2.1865 4.8233 -1.8068 P 1 noname 0.0155 2 O1 -1.0996 3.7347 -1.8799 O.3 1 noname -0.1511 3 O2 3.0583 1.3431 -2.6906 O.2 1 noname -0.2856 4 O3 1.9699 5.9213 -0.9052 O.3 1 noname -0.3318 5 O4 -2.4922 5.3394 -3.2251 O.3 1 noname -0.1644 6 O5 -1.6875 5.9889 -0.9328 O.3 1 noname -0.1644 7 O6 -3.3834 4.2686 -1.2295 O.2 1 noname -0.1965 8 N1 0.8036 0.0433 -0.2722 N.2 1 noname -0.2190 9 N2 1.2982 4.8175 -0.7621 N.3 1 noname -0.0509 10 C1 0.1915 2.2479 -0.6399 C.2 1 noname 0.0323 11 C2 1.5037 2.5820 -1.1952 C.2 1 noname 0.0494 12 C3 -0.8177 3.2587 -0.5721 C.3 1 noname 0.0898 13 C4 2.2563 1.3303 -1.7320 C.2 1 noname 0.1087 14 C5 1.8980 0.1303 -0.9609 C.2 1 noname 0.0905 15 C6 -0.0862 1.0062 -0.1906 C.2 1 noname 0.0245 16 C7 1.9974 3.8163 -1.2364 C.2 1 noname -0.0458 17 C8 2.7928 -0.9851 -0.9717 C.3 1 noname -0.0183 18 C9 1.2120 7.0065 -0.3912 C.3 1 noname 0.0577 19 H1 -1.7237 2.8388 -0.1351 H 1 noname 0.0629 20 H2 -0.4646 4.0837 0.0466 H 1 noname 0.0629 21 H3 -0.9735 0.8181 0.2063 H 1 noname 0.0843 22 H4 2.8932 3.9784 -1.6254 H 1 noname 0.0781 23 H5 2.2805 -1.8581 -1.3760 H 1 noname 0.0297 24 H6 3.1225 -1.1962 0.0456 H 1 noname 0.0297 25 H7 3.6575 -0.7512 -1.5927 H 1 noname 0.0297 26 H8 1.1177 4.6686 0.1792 H 1 noname 0.1604 27 H9 -1.6776 5.7169 -3.6180 H 1 noname 0.2283 28 H10 -2.3791 6.6817 -0.8863 H 1 noname 0.2283 29 H11 1.7752 7.9320 -0.5112 H 1 noname 0.0551 30 H12 0.2700 7.0814 -0.9344 H 1 noname 0.0551 31 H13 1.0091 6.8392 0.6666 H 1 noname 0.0551 @BOND 1 1 2 1 2 1 5 1 3 1 6 1 4 1 7 2 5 2 12 1 6 3 13 2 7 4 9 1 8 4 18 1 9 5 27 1 10 6 28 1 11 8 14 2 12 8 15 1 13 9 16 1 14 9 26 1 15 10 11 1 16 10 12 1 17 10 15 2 18 11 13 1 19 11 16 2 20 12 19 1 21 12 20 1 22 13 14 1 23 14 17 1 24 15 21 1 25 16 22 1 26 17 23 1 27 17 24 1 28 17 25 1 29 18 29 1 30 18 30 1 31 18 31 1 @SUBSTRUCTURE 1 noname 1