@MOLECULE FDBD00215 40 39 0 0 0 SMALL GASTEIGER @ATOM 1 O 5.4428 0.6296 -0.1501 O.3 1 UNK -0.3895 2 O1 -5.4415 0.6286 0.1585 O.3 1 UNK -0.3895 3 N 1.7805 0.5226 -0.5436 N.4 1 UNK 0.2345 4 N1 -1.7844 0.5225 0.5384 N.4 1 UNK 0.2345 5 C 3.0502 0.5160 0.1832 C.3 1 UNK 0.0009 6 C1 -3.0498 0.5165 -0.1814 C.3 1 UNK 0.0009 7 C2 0.6581 0.5290 0.3813 C.3 1 UNK 0.0077 8 C3 -0.6586 0.5341 -0.3894 C.3 1 UNK 0.0077 9 C4 3.1645 -0.7227 1.0916 C.3 1 UNK -0.0104 10 C5 -3.1660 -0.7210 -1.0914 C.3 1 UNK -0.0104 11 C6 4.1963 0.5669 -0.8326 C.3 1 UNK 0.0868 12 C7 -4.1932 0.5653 0.8375 C.3 1 UNK 0.0868 13 C8 3.1040 -2.0440 0.3348 C.3 1 UNK -0.0601 14 C9 -3.1029 -2.0434 -0.3367 C.3 1 UNK -0.0601 15 H 6.1646 0.6616 -0.7974 H 1 UNK 0.2097 16 H1 -6.1615 0.6593 0.8077 H 1 UNK 0.2097 17 H2 1.7262 -0.3102 -1.1301 H 1 UNK 0.2019 18 H3 1.7363 1.3641 -1.1184 H 1 UNK 0.2019 19 H4 -1.7279 -0.3123 1.1218 H 1 UNK 0.2019 20 H5 -1.7409 1.3630 1.1146 H 1 UNK 0.2019 21 H6 3.1013 1.3736 0.8210 H 1 UNK 0.0873 22 H7 -3.1030 1.3751 -0.8177 H 1 UNK 0.0873 23 H8 0.7114 1.4032 0.9960 H 1 UNK 0.0867 24 H9 0.7027 -0.3491 0.9911 H 1 UNK 0.0867 25 H10 -0.7097 1.4138 -0.9964 H 1 UNK 0.0867 26 H11 -0.7056 -0.3385 -1.0069 H 1 UNK 0.0867 27 H12 2.3601 -0.7000 1.7968 H 1 UNK 0.0318 28 H13 4.1231 -0.6765 1.5647 H 1 UNK 0.0318 29 H14 -2.3635 -0.6969 -1.7987 H 1 UNK 0.0318 30 H15 -4.1259 -0.6746 -1.5619 H 1 UNK 0.0318 31 H16 4.1693 -0.3116 -1.4429 H 1 UNK 0.0614 32 H17 4.0857 1.4361 -1.4467 H 1 UNK 0.0614 33 H18 -4.1642 -0.3141 1.4463 H 1 UNK 0.0614 34 H19 -4.0813 1.4336 1.4527 H 1 UNK 0.0614 35 H20 2.1570 -2.1311 -0.1555 H 1 UNK 0.0232 36 H21 3.2256 -2.8548 1.0224 H 1 UNK 0.0232 37 H22 3.8870 -2.0739 -0.3938 H 1 UNK 0.0232 38 H23 -2.1545 -2.1308 0.1510 H 1 UNK 0.0232 39 H24 -3.2259 -2.8532 -1.0252 H 1 UNK 0.0232 40 H25 -3.8839 -2.0747 0.3940 H 1 UNK 0.0232 @BOND 1 1 11 1 2 2 12 1 3 3 5 1 4 3 7 1 5 4 6 1 6 4 8 1 7 5 9 1 8 5 11 1 9 6 10 1 10 6 12 1 11 7 8 1 12 9 13 1 13 10 14 1 14 1 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 8 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 12 34 1 34 13 35 1 35 13 36 1 36 13 37 1 37 14 38 1 38 14 39 1 39 14 40 1