@MOLECULE 72941471 29 28 1 SMALL USER_CHARGES @ATOM 1 N1 3.3502 -1.1960 -0.1384 N.3 1 noname -0.3172 2 C1 2.0246 -1.4154 -0.7147 C.3 1 noname 0.0040 3 C2 1.0391 -1.7801 0.3973 C.3 1 noname -0.0345 4 C3 -0.3482 -2.0097 -0.2058 C.3 1 noname -0.0333 5 C4 1.5548 -0.1382 -1.4139 C.3 1 noname -0.0498 6 C5 -1.2693 -2.3506 0.8335 C.2 1 noname -0.0839 7 C6 3.7992 -2.4164 0.5298 C.3 1 noname -0.0161 8 C7 -2.5431 -2.5954 0.5393 C.2 1 noname -0.0822 9 C8 -3.4642 -2.9363 1.5786 C.3 1 noname -0.0442 10 C9 -2.9914 -2.5176 -0.8164 C.3 1 noname -0.0442 11 H1 2.0732 -2.2290 -1.4384 H 1 noname 0.0461 12 H2 1.3738 -2.6900 0.8955 H 1 noname 0.0285 13 H3 0.9905 -0.9665 1.1211 H 1 noname 0.0285 14 H4 -0.2996 -2.8233 -0.9295 H 1 noname 0.0310 15 H5 -0.6829 -1.0998 -0.7039 H 1 noname 0.0310 16 H6 0.5665 -0.3017 -1.8435 H 1 noname 0.0246 17 H7 2.2569 0.1217 -2.2061 H 1 noname 0.0246 18 H8 1.5062 0.6754 -0.6901 H 1 noname 0.0246 19 H9 4.0085 -0.9523 -0.8811 H 1 noname 0.1221 20 H10 -0.9589 -2.4044 1.7721 H 1 noname 0.0575 21 H11 4.7875 -2.2529 0.9595 H 1 noname 0.0391 22 H12 3.0971 -2.6763 1.3220 H 1 noname 0.0391 23 H13 3.8478 -3.2300 -0.1939 H 1 noname 0.0391 24 H14 -3.7722 -1.7615 -0.8980 H 1 noname 0.0276 25 H15 -3.3889 -3.4850 -1.1236 H 1 noname 0.0276 26 H16 -2.1549 -2.2472 -1.4608 H 1 noname 0.0276 27 H17 -4.2670 -2.1996 1.6086 H 1 noname 0.0276 28 H18 -3.8837 -3.9231 1.3830 H 1 noname 0.0276 29 H19 -2.9440 -2.9460 2.5364 H 1 noname 0.0276 @BOND 1 1 2 1 2 1 7 1 3 1 19 1 4 2 3 1 5 2 5 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 6 1 11 4 14 1 12 4 15 1 13 5 16 1 14 5 17 1 15 5 18 1 16 6 8 2 17 6 20 1 18 7 21 1 19 7 22 1 20 7 23 1 21 8 9 1 22 8 10 1 23 9 27 1 24 9 28 1 25 9 29 1 26 10 24 1 27 10 25 1 28 10 26 1 @SUBSTRUCTURE 1 noname 1