@MOLECULE DB02623 44 46 1 SMALL USER_CHARGES @ATOM 1 P1 6.8116 1.7508 1.5414 P 1 noname 0.0591 2 O1 7.2214 3.0817 1.9079 O.2 1 noname -0.1867 3 O2 5.9298 1.8141 0.2804 O.3 1 noname -0.0502 4 O3 6.0101 1.1239 2.6973 O.3 1 noname -0.1462 5 O4 8.0566 0.8910 1.2545 O.3 1 noname -0.1582 6 P2 6.7314 2.4410 -0.8755 P 1 noname -0.0257 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 -0.2226 9 O6 7.9764 1.5812 -1.1624 O.3 1 noname -0.1838 10 N1 7.1816 3.9031 -0.4729 N.3 1 noname -0.0159 11 C2 4.8097 -0.8114 3.4844 C.3 1 noname 0.1130 12 O7 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 0.1577 15 O8 5.0190 -3.1916 3.7960 O.3 1 noname -0.3873 16 C5 2.8481 -2.1983 3.4950 C.3 1 noname 0.1257 17 N2 1.5250 -0.3465 4.6235 N.3 1 noname -0.0064 18 O9 2.5870 -3.3466 4.2885 O.3 1 noname -0.3857 19 C6 1.3413 0.7793 5.3493 C.2 1 noname -0.0115 20 C7 0.2919 -0.7309 4.1744 C.2 1 noname -0.0358 21 N3 2.2176 1.5753 6.0343 N.3 1 noname 0.0929 22 C8 -0.0304 1.0606 5.2671 C.2 1 noname 0.0554 23 N4 -0.6645 0.1289 4.5641 N.2 1 noname -0.2138 24 C9 1.7460 2.7109 6.6483 C.2 1 noname 0.0423 25 C10 -0.5059 2.2291 5.8928 C.2 1 noname 0.0561 26 N5 0.4066 3.0017 6.5503 N.2 1 noname -0.1701 27 N6 2.5522 3.4954 7.3097 N.2 1 noname -0.2387 28 O10 -1.8110 2.5709 5.8441 O.3 1 noname -0.2485 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 0.2273 33 H5 8.1612 4.1125 -0.3444 H 1 noname 0.1339 34 H6 6.4893 4.6273 -0.3444 H 1 noname 0.1339 35 H7 5.3990 -0.8269 4.4011 H 1 noname 0.0657 36 H8 4.4878 -2.4576 2.0238 H 1 noname 0.0657 37 H9 3.0838 -1.1696 5.4040 H 1 noname 0.0852 38 H10 4.9093 -3.0372 4.7371 H 1 noname 0.2106 39 H11 2.1090 -2.2642 2.6966 H 1 noname 0.0674 40 H12 2.6403 -3.1122 5.2179 H 1 noname 0.2107 41 H13 0.0943 -1.6197 3.5751 H 1 noname 0.1016 42 H14 3.1958 1.3290 6.0857 H 1 noname 0.0682 43 H15 2.4143 3.3612 8.3012 H 1 noname 0.1893 44 H16 -2.1520 2.6602 6.7370 H 1 noname 0.2199 @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 1 25 22 25 1 26 22 23 1 27 24 26 1 28 24 27 2 29 25 28 1 30 25 26 2 31 5 29 1 32 7 30 1 33 7 31 1 34 9 32 1 35 10 33 1 36 10 34 1 37 11 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 18 40 1 43 20 41 1 44 21 42 1 45 27 43 1 46 28 44 1 @SUBSTRUCTURE 1 noname 1