@MOLECULE DB01868 43 42 1 SMALL USER_CHARGES @ATOM 1 P1 4.0299 -3.4793 -2.4036 P 1 noname 0.0200 2 O1 4.3422 -3.2801 -3.7952 O.2 1 noname -0.2273 3 O2 2.8947 -4.5119 -2.2751 O.3 1 noname -0.1920 4 O3 5.2793 -3.9955 -1.6660 O.3 1 noname -0.1920 5 C1 3.5499 -2.0482 -1.7373 C.3 1 noname 0.1429 6 N1 4.5635 -1.1263 -1.8522 N.2 1 noname -0.4858 7 C2 3.2180 -2.2599 -0.2588 C.3 1 noname -0.0398 8 C3 4.4049 0.0552 -1.3999 C.2 1 noname -0.1397 9 O4 3.2676 0.3933 -0.8214 O.3 1 noname -0.5026 10 C4 5.4591 1.0140 -1.5193 C.3 1 noname -0.0146 11 C5 5.0139 2.3410 -0.9014 C.3 1 noname -0.0535 12 C6 6.1419 3.3669 -1.0292 C.3 1 noname -0.0510 13 C7 5.6967 4.6939 -0.4113 C.3 1 noname -0.0209 14 C8 6.8246 5.7198 -0.5391 C.3 1 noname 0.1379 15 N2 6.4245 6.9124 0.0162 N.2 1 noname -0.2169 16 C9 7.1412 5.9218 -1.9500 C.2 1 noname 0.1478 17 C10 7.0756 7.4113 0.9923 C.2 1 noname 0.0286 18 O5 8.2913 5.6763 -2.3738 O.2 1 noname -0.2468 19 O6 6.1919 6.3736 -2.7968 O.3 1 noname -0.2118 20 O7 8.1337 6.7830 1.4698 O.3 1 noname -0.2612 21 C11 6.6595 8.6516 1.5697 C.3 1 noname 0.0577 22 N3 6.3425 8.4493 2.9825 N.3 1 noname -0.3235 23 H1 2.7147 -4.6756 -1.3464 H 1 noname 0.2259 24 H2 5.1382 -3.9372 -0.7182 H 1 noname 0.2259 25 H3 2.7247 -1.5363 -2.2326 H 1 noname 0.0559 26 H4 3.1704 -3.3279 -0.0465 H 1 noname 0.0247 27 H5 3.9921 -1.8013 0.3565 H 1 noname 0.0247 28 H6 2.2553 -1.8013 -0.0332 H 1 noname 0.0247 29 H7 6.2803 0.6230 -0.9186 H 1 noname 0.0253 30 H8 5.5931 1.1705 -2.5896 H 1 noname 0.0253 31 H9 4.1851 2.7077 -1.5069 H 1 noname 0.0263 32 H10 4.8723 2.1602 0.1641 H 1 noname 0.0263 33 H11 6.9707 3.0003 -0.4237 H 1 noname 0.0267 34 H12 6.2835 3.5477 -2.0947 H 1 noname 0.0267 35 H13 4.8678 5.0606 -1.0168 H 1 noname 0.0294 36 H14 5.5550 4.5131 0.6542 H 1 noname 0.0294 37 H15 7.7286 5.4446 0.0041 H 1 noname 0.0661 38 H16 5.4543 6.7248 -2.2927 H 1 noname 0.2213 39 H17 8.1087 6.7979 2.4293 H 1 noname 0.2196 40 H18 7.5223 9.3162 1.5257 H 1 noname 0.0514 41 H19 5.7321 8.9286 1.0685 H 1 noname 0.0514 42 H20 7.0864 8.3795 3.6621 H 1 noname 0.1188 43 H21 5.3795 8.3795 3.2790 H 1 noname 0.1188 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 5 6 1 6 5 7 1 7 6 8 2 8 8 9 1 9 8 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 14 16 1 16 15 17 2 17 16 18 2 18 16 19 1 19 17 20 1 20 17 21 1 21 21 22 1 22 3 23 1 23 4 24 1 24 5 25 1 25 7 26 1 26 7 27 1 27 7 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 14 37 1 37 19 38 1 38 20 39 1 39 21 40 1 40 21 41 1 41 22 42 1 42 22 43 1 @SUBSTRUCTURE 1 noname 1