@MOLECULE 73425508 62 65 1 SMALL USER_CHARGES @ATOM 1 P1 6.2175 7.7343 -0.3313 P 1 noname 0.0194 2 O1 1.9031 3.8579 4.0512 O.2 1 noname -0.2688 3 O2 1.3093 0.6564 10.3963 O.2 1 noname -0.2949 4 O3 5.0084 2.4896 4.7328 O.2 1 noname -0.2660 5 O4 4.0309 0.2813 2.6270 O.3 1 noname -0.2671 6 O5 6.0030 6.4649 0.5986 O.3 1 noname -0.1408 7 O6 5.1197 3.4704 -1.8188 O.3 1 noname -0.2425 8 O7 7.5178 8.4684 0.1932 O.3 1 noname -0.1638 9 O8 6.5135 7.2731 -1.8162 O.3 1 noname -0.1638 10 O9 5.0868 8.6644 -0.2890 O.2 1 noname -0.1956 11 N1 2.4118 2.8525 6.0095 N.3 1 noname -0.0439 12 N2 1.7220 2.1408 8.7715 N.3 1 noname -0.0662 13 N3 4.6260 4.6113 1.0010 N.3 1 noname 0.0455 14 N4 4.8322 1.3665 -0.7775 N.2 1 noname -0.2157 15 C1 1.6106 3.8000 6.7714 C.3 1 noname 0.0196 16 C2 2.8075 1.5714 6.5681 C.3 1 noname 0.0196 17 C3 1.6536 3.4964 8.2740 C.3 1 noname 0.0194 18 C4 1.9347 1.1096 7.7619 C.3 1 noname 0.0194 19 C5 2.7551 3.2134 4.7200 C.2 1 noname 0.0881 20 C6 1.7093 1.8315 10.1512 C.2 1 noname 0.0150 21 C7 4.2323 3.3310 2.7863 C.2 1 noname 0.0181 22 C8 4.0189 2.9592 4.1189 C.2 1 noname 0.1315 23 C9 4.3794 2.5021 1.6749 C.2 1 noname 0.0090 24 C10 4.6604 3.3239 0.5776 C.2 1 noname 0.0493 25 C11 4.3684 4.6431 2.3265 C.2 1 noname -0.0239 26 C12 2.1221 2.6579 11.2933 C.2 1 noname -0.0115 27 C13 4.2958 1.0935 1.5580 C.2 1 noname 0.0318 28 C14 4.8189 5.7733 0.2017 C.3 1 noname 0.1317 29 C15 4.9041 2.7279 -0.6922 C.2 1 noname 0.0449 30 C16 1.9082 2.2228 12.6492 C.2 1 noname -0.0181 31 C17 2.8461 3.8651 11.1651 C.2 1 noname -0.0181 32 C18 4.5610 0.5531 0.2783 C.2 1 noname 0.0142 33 C19 2.3039 2.9985 13.7662 C.2 1 noname -0.0465 34 C20 3.0893 4.7109 12.2607 C.2 1 noname -0.0465 35 C21 2.8618 4.2708 13.5636 C.2 1 noname -0.0445 36 C22 2.6266 0.0171 2.7251 C.3 1 noname 0.0424 37 C23 6.4583 3.3559 -2.3199 C.3 1 noname 0.0441 38 H1 2.6669 0.7995 5.8099 H 1 noname 0.0449 39 H2 3.8704 1.6012 6.8572 H 1 noname 0.0449 40 H3 0.5966 3.9543 6.3523 H 1 noname 0.0449 41 H4 2.1294 4.7619 6.6235 H 1 noname 0.0449 42 H5 0.9644 0.7731 7.3973 H 1 noname 0.0449 43 H6 2.4754 0.2538 8.1813 H 1 noname 0.0449 44 H7 0.8436 4.0367 8.7555 H 1 noname 0.0449 45 H8 2.6276 3.8487 8.4944 H 1 noname 0.0449 46 H9 4.2973 5.4873 2.9151 H 1 noname 0.0800 47 H10 3.9589 6.4345 0.3084 H 1 noname 0.0794 48 H11 4.9654 5.5041 -0.8443 H 1 noname 0.0794 49 H12 1.5005 1.3115 12.8597 H 1 noname 0.0630 50 H13 3.2935 4.1701 10.3322 H 1 noname 0.0630 51 H14 4.5494 -0.4606 0.1384 H 1 noname 0.0868 52 H15 2.2084 2.6448 14.7105 H 1 noname 0.0622 53 H16 3.4847 5.6465 12.1139 H 1 noname 0.0622 54 H17 3.1530 4.8592 14.3638 H 1 noname 0.0622 55 H18 2.4376 -0.6303 3.5814 H 1 noname 0.0535 56 H19 2.0884 0.9562 2.8538 H 1 noname 0.0535 57 H20 2.2851 -0.4755 1.8147 H 1 noname 0.0535 58 H21 6.5648 3.9689 -3.2149 H 1 noname 0.0535 59 H22 6.6664 2.3146 -2.5658 H 1 noname 0.0535 60 H23 7.1612 3.6973 -1.5600 H 1 noname 0.0535 61 H24 7.3233 6.7214 -1.8317 H 1 noname 0.2283 62 H25 7.3868 8.7381 1.1263 H 1 noname 0.2283 @BOND 1 1 6 1 2 1 8 1 3 1 9 1 4 1 10 2 5 2 19 2 6 3 20 2 7 4 22 2 8 5 27 1 9 5 36 1 10 6 28 1 11 7 29 1 12 7 37 1 13 8 62 1 14 9 61 1 15 11 15 1 16 11 16 1 17 11 19 1 18 12 17 1 19 12 18 1 20 12 20 1 21 13 24 1 22 13 25 1 23 13 28 1 24 14 29 2 25 14 32 1 26 15 17 1 27 15 40 1 28 15 41 1 29 16 18 1 30 16 38 1 31 16 39 1 32 17 44 1 33 17 45 1 34 18 42 1 35 18 43 1 36 19 22 1 37 20 26 1 38 21 22 1 39 21 23 1 40 21 25 2 41 23 24 2 42 23 27 1 43 24 29 1 44 25 46 1 45 26 30 2 46 26 31 1 47 27 32 2 48 28 47 1 49 28 48 1 50 30 33 1 51 30 49 1 52 31 34 2 53 31 50 1 54 32 51 1 55 33 35 2 56 33 52 1 57 34 35 1 58 34 53 1 59 35 54 1 60 36 55 1 61 36 56 1 62 36 57 1 63 37 58 1 64 37 59 1 65 37 60 1 @SUBSTRUCTURE 1 noname 1