@MOLECULE DB07444 43 46 1 SMALL USER_CHARGES @ATOM 1 O1 1.8959 -1.4204 0.2501 O.2 1 noname -0.2878 2 C1 1.4038 -0.2864 0.0649 C.2 1 noname 0.0571 3 N1 1.9961 0.8392 -0.6964 N.3 1 noname 0.0768 4 C2 0.1246 0.2134 0.5505 C.2 1 noname 0.0183 5 C3 0.9693 1.8743 -0.9121 C.2 1 noname 0.0632 6 C4 -0.8134 -0.4488 1.3879 C.2 1 noname -0.0017 7 C5 -0.0838 1.4967 0.0296 C.2 1 noname 0.0395 8 O2 0.9928 2.8393 -1.7063 O.2 1 noname -0.2869 9 C6 -1.9922 0.2543 1.7683 C.2 1 noname -0.0305 10 C7 -0.5749 -1.8143 1.8464 C.3 1 noname 0.0093 11 C8 -1.2427 2.2043 0.4250 C.2 1 noname 0.0033 12 C9 -2.1589 1.5929 1.3054 C.2 1 noname -0.0632 13 C10 -1.7329 3.4536 0.1360 C.2 1 noname -0.0121 14 N2 -3.1501 2.4642 1.6017 N.3 1 noname -0.0459 15 C11 -2.9126 3.5991 0.9178 C.2 1 noname -0.0753 16 C12 -1.2628 4.4744 -0.7431 C.2 1 noname -0.0352 17 C13 -4.2355 2.2268 2.4699 C.3 1 noname -0.0544 18 C14 -3.6843 4.7855 0.8730 C.2 1 noname -0.0389 19 C15 -2.0432 5.6625 -0.7942 C.2 1 noname -0.0407 20 C16 -3.8532 2.6459 3.8908 C.3 1 noname -0.0246 21 C17 -3.2334 5.8155 -0.0137 C.2 1 noname -0.0447 22 C18 -1.6192 6.7546 -1.6654 C.3 1 noname 0.0002 23 C19 -5.0310 2.3883 4.8328 C.3 1 noname -0.0061 24 N3 -4.6656 2.7888 6.1906 N.3 1 noname -0.3304 25 H1 2.9520 0.8927 -1.0183 H 1 noname 0.1407 26 H2 -2.7464 -0.2193 2.3967 H 1 noname 0.0645 27 H3 -0.5711 -1.8362 2.9362 H 1 noname 0.0280 28 H4 -1.3645 -2.4662 1.4727 H 1 noname 0.0280 29 H5 0.3889 -2.1599 1.4727 H 1 noname 0.0280 30 H6 -0.3596 4.3536 -1.3412 H 1 noname 0.0632 31 H7 -5.0314 2.8862 2.1237 H 1 noname 0.0473 32 H8 -4.3806 1.1466 2.4617 H 1 noname 0.0473 33 H9 -4.5770 4.8996 1.4878 H 1 noname 0.0642 34 H10 -3.0465 1.9848 4.2076 H 1 noname 0.0295 35 H11 -3.6973 3.7245 3.8696 H 1 noname 0.0295 36 H12 -3.8095 6.7371 -0.0965 H 1 noname 0.0626 37 H13 -1.2917 7.5981 -1.0576 H 1 noname 0.0279 38 H14 -0.7950 6.4184 -2.2946 H 1 noname 0.0279 39 H15 -2.4543 7.0627 -2.2946 H 1 noname 0.0279 40 H16 -5.8430 3.0507 4.5327 H 1 noname 0.0426 41 H17 -5.1922 1.3110 4.8707 H 1 noname 0.0426 42 H18 -3.6948 2.9271 6.4324 H 1 noname 0.1184 43 H19 -5.3841 2.9271 6.8869 H 1 noname 0.1184 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 2 6 4 7 1 7 5 8 2 8 5 7 1 9 6 9 1 10 6 10 1 11 7 11 2 12 9 12 2 13 11 13 1 14 11 12 1 15 12 14 1 16 13 15 2 17 13 16 1 18 14 17 1 19 14 15 1 20 15 18 1 21 16 19 2 22 17 20 1 23 18 21 2 24 19 22 1 25 19 21 1 26 20 23 1 27 23 24 1 28 3 25 1 29 9 26 1 30 10 27 1 31 10 28 1 32 10 29 1 33 16 30 1 34 17 31 1 35 17 32 1 36 18 33 1 37 20 34 1 38 20 35 1 39 21 36 1 40 22 37 1 41 22 38 1 42 22 39 1 43 23 40 1 44 23 41 1 45 24 42 1 46 24 43 1 @SUBSTRUCTURE 1 noname 1