@MOLECULE 119517 29 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.3650 -0.0162 -0.0231 O.3 1 noname -0.3544 2 C1 1.7595 1.2842 -0.0738 C.2 1 noname 0.1318 3 C2 0.0370 -0.0162 0.1026 C.2 1 noname 0.0281 4 N1 0.7155 2.1263 0.0149 N.2 1 noname -0.2007 5 N2 3.0342 1.6783 -0.1974 N.3 1 noname -0.0643 6 C3 -0.3514 1.3313 0.1125 C.2 1 noname 0.0443 7 C4 -0.8224 -1.1349 0.1927 C.2 1 noname 0.0027 8 C5 -1.7047 1.6785 0.1897 C.2 1 noname 0.0123 9 C6 -2.1825 -0.7664 0.2579 C.2 1 noname -0.0249 10 C7 -2.6631 0.6024 0.2442 C.2 1 noname -0.0195 11 C8 -4.0991 0.8887 0.2775 C.2 1 noname -0.0241 12 C9 -5.0808 -0.1639 0.3361 C.2 1 noname -0.0696 13 C10 -4.6190 2.2324 0.2531 C.2 1 noname 0.0067 14 N3 -6.4158 0.1701 0.3690 N.3 1 noname -0.1109 15 C11 -5.9971 2.5815 0.2871 C.2 1 noname 0.0072 16 C12 -6.8521 1.4441 0.3474 C.2 1 noname -0.0019 17 C13 -7.4732 -0.6511 0.4254 C.2 1 noname -0.0905 18 N4 -8.1972 1.4182 0.3911 N.2 1 noname -0.2312 19 C14 -8.6165 0.1442 0.4399 C.2 1 noname 0.0082 20 H1 3.7730 0.9912 -0.2439 H 1 noname 0.1278 21 H2 3.2563 2.6625 -0.2439 H 1 noname 0.1278 22 H3 -0.4746 -2.1677 0.2100 H 1 noname 0.0651 23 H4 -1.9959 2.7288 0.2065 H 1 noname 0.0652 24 H5 -2.9010 -1.5836 0.3224 H 1 noname 0.0630 25 H6 -4.8117 -1.2199 0.3558 H 1 noname 0.0802 26 H7 -3.9076 3.0568 0.2047 H 1 noname 0.0630 27 H8 -6.3590 3.6095 0.2689 H 1 noname 0.0659 28 H9 -7.4154 -1.7392 0.4535 H 1 noname 0.0812 29 H10 -9.6579 -0.1749 0.4821 H 1 noname 0.0853 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 6 1 8 6 8 1 9 7 9 2 10 8 10 2 11 9 10 1 12 10 11 1 13 11 12 2 14 11 13 1 15 12 14 1 16 13 15 2 17 14 16 1 18 14 17 1 19 15 16 1 20 16 18 2 21 17 19 2 22 18 19 1 23 5 20 1 24 5 21 1 25 7 22 1 26 8 23 1 27 9 24 1 28 12 25 1 29 13 26 1 30 15 27 1 31 17 28 1 32 19 29 1 @SUBSTRUCTURE 1 noname 1