@MOLECULE DB04315 43 45 1 SMALL USER_CHARGES @ATOM 1 P1 6.8116 1.7508 1.5414 P 1 noname 0.0669 2 O1 7.2214 3.0817 1.9079 O.2 1 noname -0.1856 3 O2 5.9298 1.8141 0.2804 O.3 1 noname -0.0280 4 O3 6.0101 1.1239 2.6973 O.3 1 noname -0.1456 5 O4 8.0566 0.8910 1.2545 O.3 1 noname -0.1575 6 P2 6.7314 2.4410 -0.8755 P 1 noname 0.0623 7 C1 5.6060 -0.1886 2.3359 C.3 1 noname 0.0915 8 O5 5.9069 2.5002 -2.0546 O.2 1 noname -0.1871 9 O6 7.9764 1.5812 -1.1624 O.3 1 noname -0.1585 10 O7 7.1696 3.8643 -0.4836 O.3 1 noname -0.1585 11 C2 4.8097 -0.8114 3.4844 C.3 1 noname 0.1130 12 O8 3.6723 -0.0260 3.7464 O.3 1 noname -0.3483 13 C3 4.3132 -2.1976 3.0679 C.3 1 noname 0.1127 14 C4 2.7985 -0.9477 4.3756 C.3 1 noname 0.1590 15 O9 5.0190 -3.1916 3.7960 O.3 1 noname -0.3873 16 C5 2.8481 -2.1983 3.4950 C.3 1 noname 0.1258 17 N1 1.5250 -0.3465 4.6235 N.3 1 noname 0.0264 18 O10 2.5870 -3.3466 4.2885 O.3 1 noname -0.3857 19 C6 1.3413 0.7793 5.3493 C.2 1 noname 0.0402 20 C7 0.2919 -0.7309 4.1744 C.2 1 noname -0.0199 21 N2 2.2176 1.5753 6.0343 N.2 1 noname -0.2033 22 C8 -0.0304 1.0606 5.2671 C.2 1 noname 0.0955 23 N3 -0.6645 0.1289 4.5641 N.2 1 noname -0.1979 24 C9 1.7460 2.7109 6.6483 C.2 1 noname -0.0771 25 C10 -0.5059 2.2291 5.8928 C.2 1 noname 0.0884 26 N4 0.4066 3.0017 6.5503 N.3 1 noname 0.0507 27 N5 2.5738 3.5164 7.3275 N.3 1 noname -0.1233 28 O11 -1.7143 2.5456 5.8477 O.2 1 noname -0.2752 29 H1 8.4541 0.6166 2.0842 H 1 noname 0.2283 30 H2 4.9330 -0.0624 1.4878 H 1 noname 0.0605 31 H3 6.5296 -0.7554 2.2191 H 1 noname 0.0605 32 H4 8.3739 1.3068 -0.3327 H 1 noname 0.2283 33 H5 7.1929 3.9399 0.4731 H 1 noname 0.2283 34 H6 5.3990 -0.8269 4.4011 H 1 noname 0.0657 35 H7 4.4878 -2.4576 2.0238 H 1 noname 0.0657 36 H8 3.0838 -1.1696 5.4040 H 1 noname 0.0853 37 H9 4.9093 -3.0372 4.7371 H 1 noname 0.2106 38 H10 2.1090 -2.2642 2.6966 H 1 noname 0.0674 39 H11 2.6403 -3.1122 5.2179 H 1 noname 0.2107 40 H12 0.0943 -1.6197 3.5751 H 1 noname 0.1016 41 H13 0.0685 3.8439 6.9935 H 1 noname 0.1400 42 H14 3.4958 3.1932 7.5834 H 1 noname 0.1268 43 H15 2.2758 4.4469 7.5834 H 1 noname 0.1268 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 4 7 1 7 6 8 2 8 6 9 1 9 6 10 1 10 11 7 1 11 11 12 1 12 11 13 1 13 12 14 1 14 13 15 1 15 13 16 1 16 14 17 1 17 14 16 1 18 16 18 1 19 17 19 1 20 17 20 1 21 19 21 1 22 19 22 2 23 20 23 2 24 21 24 2 25 22 25 1 26 22 23 1 27 24 26 1 28 24 27 1 29 25 28 2 30 25 26 1 31 5 29 1 32 7 30 1 33 7 31 1 34 9 32 1 35 10 33 1 36 11 34 1 37 13 35 1 38 14 36 1 39 15 37 1 40 16 38 1 41 18 39 1 42 20 40 1 43 26 41 1 44 27 42 1 45 27 43 1 @SUBSTRUCTURE 1 noname 1