@MOLECULE DB02222 33 34 1 SMALL USER_CHARGES @ATOM 1 P1 6.5445 -1.0034 1.9397 P 1 noname -0.3240 2 O1 6.7314 -1.8298 3.1041 O.2 1 noname -0.5600 3 O2 7.5973 -1.3686 0.8768 O.3 1 noname -0.5600 4 O3 6.7021 0.4777 2.3307 O.3 1 noname -0.5600 5 C1 5.0335 -1.2523 1.3254 C.3 1 noname 0.0892 6 O4 4.8492 -0.4374 0.1772 O.3 1 noname -0.3783 7 C2 3.5488 -0.6516 -0.3514 C.3 1 noname 0.0703 8 C3 3.3922 -2.1232 -0.7399 C.3 1 noname -0.0253 9 C4 3.3502 0.2264 -1.5886 C.3 1 noname -0.0371 10 N1 2.1009 -2.3358 -1.2649 N.3 1 noname 0.0202 11 C5 0.9965 -2.6801 -0.5738 C.2 1 noname 0.1204 12 C6 1.7287 -2.2347 -2.5571 C.2 1 noname -0.0435 13 N2 0.8258 -2.9063 0.7644 N.2 1 noname -0.2647 14 C7 -0.0634 -2.7329 -1.4860 C.2 1 noname -0.0288 15 N3 0.4126 -2.5014 -2.7136 N.2 1 noname -0.2290 16 C8 -0.4320 -3.1799 1.2423 C.2 1 noname 0.0782 17 C9 -1.3652 -2.9854 -0.9950 C.2 1 noname 0.0664 18 N4 -1.4913 -3.1915 0.3553 N.2 1 noname -0.2770 19 N5 -0.6283 -3.4307 2.5439 N.3 1 noname -0.0797 20 N6 -2.4271 -3.0218 -1.8114 N.3 1 noname -0.1026 21 H1 4.9638 -2.2706 0.9429 H 1 noname 0.0541 22 H2 4.2918 -0.8845 2.0345 H 1 noname 0.0541 23 H3 2.8605 -0.3754 0.4473 H 1 noname 0.0616 24 H4 4.0761 -2.3320 -1.5626 H 1 noname 0.0500 25 H5 3.4357 -2.7214 0.1702 H 1 noname 0.0500 26 H6 3.2096 -0.4067 -2.4647 H 1 noname 0.0257 27 H7 2.4711 0.8557 -1.4502 H 1 noname 0.0257 28 H8 4.2285 0.8557 -1.7323 H 1 noname 0.0257 29 H9 2.4047 -1.9712 -3.3706 H 1 noname 0.1016 30 H10 0.1626 -3.5253 3.1649 H 1 noname 0.1273 31 H11 -1.5672 -3.5253 2.9039 H 1 noname 0.1273 32 H12 -2.8573 -2.1614 -2.1191 H 1 noname 0.1258 33 H13 -2.7974 -3.9097 -2.1191 H 1 noname 0.1258 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 7 6 1 7 7 8 1 8 7 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 11 13 2 13 11 14 1 14 12 15 2 15 13 16 1 16 14 17 2 17 14 15 1 18 16 18 2 19 16 19 1 20 17 20 1 21 17 18 1 22 5 21 1 23 5 22 1 24 7 23 1 25 8 24 1 26 8 25 1 27 9 26 1 28 9 27 1 29 9 28 1 30 12 29 1 31 19 30 1 32 19 31 1 33 20 32 1 34 20 33 1 @SUBSTRUCTURE 1 noname 1