@MOLECULE 71587269 29 29 1 SMALL USER_CHARGES @ATOM 1 N1 -2.1669 -0.9055 2.8703 N.3 1 noname -0.3172 2 C1 -1.6789 -0.0435 -0.7854 C.3 1 noname -0.0399 3 C2 -1.7077 1.2960 -1.5346 C.3 1 noname -0.0504 4 C3 -2.8705 -0.7757 -1.4020 C.3 1 noname -0.0504 5 C4 -1.9408 0.8484 -2.9775 C.3 1 noname -0.0530 6 C5 -2.8754 -0.3645 -2.8797 C.3 1 noname -0.0530 7 C6 -1.9431 0.1984 0.7021 C.3 1 noname -0.0352 8 C7 -1.9145 -1.1367 1.4489 C.3 1 noname 0.0039 9 C8 -0.5418 -1.7894 1.2742 C.3 1 noname -0.0498 10 C9 -3.4786 -0.2818 3.0371 C.3 1 noname -0.0161 11 H1 -0.7799 -0.6176 -1.0092 H 1 noname 0.0303 12 H2 -3.7910 -0.4360 -0.9273 H 1 noname 0.0269 13 H3 -2.8147 -1.8559 -1.2673 H 1 noname 0.0269 14 H4 -2.5599 1.8843 -1.1945 H 1 noname 0.0269 15 H5 -0.8026 1.8889 -1.4028 H 1 noname 0.0269 16 H6 -3.8836 -0.0708 -3.1718 H 1 noname 0.0266 17 H7 -2.4977 -1.1509 -3.5332 H 1 noname 0.0266 18 H8 -2.4375 1.6462 -3.5296 H 1 noname 0.0266 19 H9 -0.9914 0.5321 -3.4096 H 1 noname 0.0266 20 H10 -2.9211 0.6634 0.8265 H 1 noname 0.0285 21 H11 -1.1738 0.8569 1.1054 H 1 noname 0.0285 22 H12 -2.6838 -1.7951 1.0456 H 1 noname 0.0461 23 H13 -0.3535 -1.9617 0.2145 H 1 noname 0.0246 24 H14 -0.5213 -2.7405 1.8063 H 1 noname 0.0246 25 H15 0.2276 -1.1309 1.6775 H 1 noname 0.0246 26 H16 -2.1478 -1.7973 3.3691 H 1 noname 0.1221 27 H17 -3.6669 -0.1095 4.0968 H 1 noname 0.0391 28 H18 -4.2480 -0.9403 2.6338 H 1 noname 0.0391 29 H19 -3.4991 0.6693 2.5051 H 1 noname 0.0391 @BOND 1 1 8 1 2 1 10 1 3 1 26 1 4 2 3 1 5 2 4 1 6 2 7 1 7 2 11 1 8 3 5 1 9 3 14 1 10 3 15 1 11 4 6 1 12 4 12 1 13 4 13 1 14 5 6 1 15 5 18 1 16 5 19 1 17 6 16 1 18 6 17 1 19 7 8 1 20 7 20 1 21 7 21 1 22 8 9 1 23 8 22 1 24 9 23 1 25 9 24 1 26 9 25 1 27 10 27 1 28 10 28 1 29 10 29 1 @SUBSTRUCTURE 1 noname 1