@MOLECULE 71587565 32 34 1 SMALL USER_CHARGES @ATOM 1 O1 -3.1359 2.8282 -0.9155 O.3 1 noname -0.2164 2 O2 -2.3287 2.7452 1.1315 O.2 1 noname -0.2528 3 O3 -0.3427 -3.5216 -1.2679 O.2 1 noname -0.2916 4 N1 -0.3309 -0.0575 -0.4583 N.3 1 noname -0.0238 5 C1 -0.7585 2.2422 -0.6334 C.3 1 noname 0.0846 6 C2 0.3801 2.0080 0.4210 C.3 1 noname -0.0194 7 C3 0.4875 0.4784 0.5909 C.3 1 noname 0.0177 8 C4 -0.8815 0.8999 -1.1879 C.2 1 noname -0.0751 9 C5 -0.6805 -1.2818 -0.9517 C.2 1 noname -0.0629 10 C6 -1.5426 0.3563 -2.2761 C.2 1 noname -0.0301 11 C7 -1.4052 -1.0161 -2.1274 C.2 1 noname -0.0083 12 C8 -2.0900 2.6326 -0.0940 C.2 1 noname 0.1394 13 C9 -0.5108 -2.6086 -0.4335 C.2 1 noname 0.0610 14 C10 -0.5394 -2.9411 0.9652 C.2 1 noname -0.0156 15 C11 -0.0657 -4.1662 1.5075 C.2 1 noname -0.0174 16 C12 -1.0209 -1.9980 1.9021 C.2 1 noname -0.0174 17 C13 0.0672 -4.3387 2.9038 C.2 1 noname -0.0471 18 C14 -0.6544 -2.0668 3.2499 C.2 1 noname -0.0471 19 C15 -0.1476 -3.2621 3.7654 C.2 1 noname -0.0409 20 H1 -0.4200 2.9716 -1.3815 H 1 noname 0.0473 21 H2 0.1992 2.4971 1.3857 H 1 noname 0.0295 22 H3 1.3472 2.3819 0.0627 H 1 noname 0.0295 23 H4 0.1234 0.2352 1.5934 H 1 noname 0.0473 24 H5 1.5069 0.0943 0.5543 H 1 noname 0.0473 25 H6 -2.0441 0.8467 -3.0266 H 1 noname 0.0639 26 H7 -1.8068 -1.7138 -2.7742 H 1 noname 0.0644 27 H8 0.2029 -4.9458 0.9154 H 1 noname 0.0630 28 H9 -1.6014 -1.1995 1.6087 H 1 noname 0.0630 29 H10 0.3276 -5.2537 3.3021 H 1 noname 0.0622 30 H11 -0.7234 -1.2444 3.8383 H 1 noname 0.0622 31 H12 0.0533 -3.3380 4.7618 H 1 noname 0.0622 32 H13 -3.9802 3.1300 -0.5470 H 1 noname 0.2213 @BOND 1 1 12 1 2 1 32 1 3 2 12 2 4 3 13 2 5 4 7 1 6 4 8 1 7 4 9 1 8 5 6 1 9 5 8 1 10 5 12 1 11 5 20 1 12 6 7 1 13 6 21 1 14 6 22 1 15 7 23 1 16 7 24 1 17 8 10 2 18 9 11 2 19 9 13 1 20 10 11 1 21 10 25 1 22 11 26 1 23 13 14 1 24 14 15 2 25 14 16 1 26 15 17 1 27 15 27 1 28 16 18 2 29 16 28 1 30 17 19 2 31 17 29 1 32 18 19 1 33 18 30 1 34 19 31 1 @SUBSTRUCTURE 1 noname 1