@MOLECULE 112500419 30 30 1 SMALL USER_CHARGES @ATOM 1 N1 0.0033 0.2679 0.1983 N.3 1 noname 0.0000 2 C1 -0.1520 1.7079 0.5930 C.3 1 noname 0.0000 3 C2 1.0197 -0.1162 -0.8375 C.3 1 noname 0.0000 4 C3 0.3289 2.7453 -0.4616 C.3 1 noname 0.0000 5 C4 2.1886 0.8921 -1.0342 C.3 1 noname 0.0000 6 C5 1.7054 2.3749 -1.0972 C.3 1 noname 0.0000 7 C6 0.1960 -0.5477 1.3963 C.3 1 noname 0.0000 8 C7 -1.2713 -0.1564 -0.3787 C.3 1 noname 0.0000 9 C8 -0.7233 2.8764 -1.5646 C.3 1 noname 0.0000 10 C9 3.1971 0.7323 0.1053 C.3 1 noname 0.0000 11 H1 -1.1934 1.9047 0.8476 H 1 noname 0.0000 12 H2 0.4950 1.8472 1.4592 H 1 noname 0.0000 13 H3 0.5204 -0.2843 -1.7918 H 1 noname 0.0000 14 H4 1.4315 -1.0938 -0.5867 H 1 noname 0.0000 15 H5 0.3802 3.7372 -0.0127 H 1 noname 0.0000 16 H6 2.7497 0.6430 -1.9348 H 1 noname 0.0000 17 H7 1.7343 2.7228 -2.1298 H 1 noname 0.0000 18 H8 2.4730 2.9353 -0.5636 H 1 noname 0.0000 19 H9 -1.2034 -1.2015 -0.6808 H 1 noname 0.0000 20 H10 -2.0617 -0.0432 0.3633 H 1 noname 0.0000 21 H11 -1.4991 0.4593 -1.2489 H 1 noname 0.0000 22 H12 0.3087 -1.5933 1.1097 H 1 noname 0.0000 23 H13 -0.6689 -0.4416 2.0511 H 1 noname 0.0000 24 H14 1.0920 -0.2162 1.9212 H 1 noname 0.0000 25 H15 -0.3864 3.6033 -2.3036 H 1 noname 0.0000 26 H16 -1.6656 3.2102 -1.1300 H 1 noname 0.0000 27 H17 -0.8677 1.9092 -2.0459 H 1 noname 0.0000 28 H18 4.0158 1.4386 -0.0325 H 1 noname 0.0000 29 H19 2.7039 0.9289 1.0572 H 1 noname 0.0000 30 H20 3.5900 -0.2844 0.1028 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 3 1 3 1 7 1 4 1 8 1 5 2 4 1 6 2 11 1 7 2 12 1 8 3 5 1 9 3 13 1 10 3 14 1 11 4 6 1 12 4 9 1 13 4 15 1 14 5 6 1 15 5 10 1 16 5 16 1 17 6 17 1 18 6 18 1 19 7 22 1 20 7 23 1 21 7 24 1 22 8 19 1 23 8 20 1 24 8 21 1 25 9 25 1 26 9 26 1 27 9 27 1 28 10 28 1 29 10 29 1 30 10 30 1 @SUBSTRUCTURE 1 noname 1