@MOLECULE 89244085 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 3.4670 0.6926 -1.0862 O.3 1 noname -0.3959 2 C1 1.3491 -0.2341 -0.4069 C.3 1 noname -0.0181 3 C2 0.6951 1.1471 -0.4791 C.3 1 noname -0.0483 4 C3 0.3141 -1.3071 -0.7508 C.3 1 noname -0.0485 5 C4 -0.4622 1.2163 0.5193 C.3 1 noname -0.0532 6 C5 2.5064 -0.3033 -1.4054 C.3 1 noname 0.0460 7 C6 0.9681 -2.6884 -0.6786 C.3 1 noname -0.0558 8 C7 -1.1163 2.5975 0.4471 C.3 1 noname -0.0561 9 C8 -0.0669 -3.7614 -1.0225 C.3 1 noname -0.0654 10 C9 -2.2735 2.6667 1.4455 C.3 1 noname -0.0654 11 H1 1.7280 -0.4045 0.6008 H 1 noname 0.0326 12 H2 0.3162 1.3175 -1.4869 H 1 noname 0.0270 13 H3 1.4324 1.9116 -0.2341 H 1 noname 0.0270 14 H4 -0.5104 -1.2579 -0.0395 H 1 noname 0.0270 15 H5 -0.0648 -1.1368 -1.7586 H 1 noname 0.0270 16 H6 -1.1996 0.4518 0.2743 H 1 noname 0.0266 17 H7 -0.0833 1.0459 1.5270 H 1 noname 0.0266 18 H8 2.1275 -0.1329 -2.4131 H 1 noname 0.0566 19 H9 2.9723 -1.2873 -1.3539 H 1 noname 0.0566 20 H10 1.3470 -2.8588 0.3291 H 1 noname 0.0264 21 H11 1.7926 -2.7376 -1.3899 H 1 noname 0.0264 22 H12 -1.4951 2.7679 -0.5607 H 1 noname 0.0264 23 H13 -0.3789 3.3620 0.6921 H 1 noname 0.0264 24 H14 0.3990 -4.7454 -0.9711 H 1 noname 0.0230 25 H15 -0.8914 -3.7121 -0.3112 H 1 noname 0.0230 26 H16 -0.4458 -3.5910 -2.0302 H 1 noname 0.0230 27 H17 -2.7395 3.6507 1.3941 H 1 noname 0.0230 28 H18 -3.0109 1.9022 1.2005 H 1 noname 0.0230 29 H19 -1.8946 2.4963 2.4532 H 1 noname 0.0230 30 H20 4.2083 0.6483 -1.7257 H 1 noname 0.2100 @BOND 1 1 6 1 2 1 30 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 11 1 7 3 5 1 8 3 12 1 9 3 13 1 10 4 7 1 11 4 14 1 12 4 15 1 13 5 8 1 14 5 16 1 15 5 17 1 16 6 18 1 17 6 19 1 18 7 9 1 19 7 20 1 20 7 21 1 21 8 10 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 10 29 1 @SUBSTRUCTURE 1 noname 1