@MOLECULE DB01188 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 3.3271 1.1734 0.1482 O.2 1 noname -0.2812 2 C1 2.0898 1.3193 0.0477 C.2 1 noname 0.0715 3 N1 1.2455 0.2436 -0.0273 N.3 1 noname 0.0615 4 C2 1.4907 2.6171 0.0058 C.2 1 noname 0.0446 5 O2 1.7761 -0.9422 0.0219 O.3 1 noname -0.2927 6 C3 -0.1245 0.3245 -0.1510 C.2 1 noname -0.0336 7 C4 0.0707 2.7344 -0.1079 C.2 1 noname -0.0120 8 C5 -0.7631 1.5889 -0.1903 C.2 1 noname -0.0260 9 C6 -0.9361 -0.8855 -0.3369 C.3 1 noname -0.0031 10 C7 -0.5354 4.0623 -0.1401 C.3 1 noname -0.0395 11 C8 -1.0088 -1.7487 0.9803 C.3 1 noname -0.0453 12 C9 -0.4208 -1.5743 -1.6515 C.3 1 noname -0.0453 13 C10 -0.9822 -3.2859 0.7263 C.3 1 noname -0.0527 14 C11 0.5987 -2.7064 -1.3662 C.3 1 noname -0.0527 15 C12 0.1035 -3.7256 -0.2999 C.3 1 noname -0.0532 16 H1 2.1122 3.5108 0.0603 H 1 noname 0.0678 17 H2 1.8928 -1.2028 0.9384 H 1 noname 0.2388 18 H3 -1.8459 1.6762 -0.2799 H 1 noname 0.0639 19 H4 -1.9768 -0.6016 -0.4932 H 1 noname 0.0363 20 H5 -0.6957 4.4133 0.8793 H 1 noname 0.0279 21 H6 0.1281 4.7520 -0.6618 H 1 noname 0.0279 22 H7 -1.4912 4.0128 -0.6618 H 1 noname 0.0279 23 H8 -0.0982 -1.5273 1.5369 H 1 noname 0.0273 24 H9 -1.9827 -1.5412 1.4237 H 1 noname 0.0273 25 H10 -1.2859 -2.0588 -2.1041 H 1 noname 0.0273 26 H11 0.1275 -0.8112 -2.2039 H 1 noname 0.0273 27 H12 -0.6984 -3.7411 1.6752 H 1 noname 0.0267 28 H13 -1.9414 -3.5304 0.2698 H 1 noname 0.0267 29 H14 0.6915 -3.2659 -2.2970 H 1 noname 0.0267 30 H15 1.4725 -2.2191 -0.9337 H 1 noname 0.0267 31 H16 0.9843 -3.9405 0.3052 H 1 noname 0.0266 32 H17 -0.3683 -4.5206 -0.8773 H 1 noname 0.0266 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 6 8 2 8 6 9 1 9 7 10 1 10 7 8 1 11 9 11 1 12 9 12 1 13 11 13 1 14 12 14 1 15 13 15 1 16 14 15 1 17 4 16 1 18 5 17 1 19 8 18 1 20 9 19 1 21 10 20 1 22 10 21 1 23 10 22 1 24 11 23 1 25 11 24 1 26 12 25 1 27 12 26 1 28 13 27 1 29 13 28 1 30 14 29 1 31 14 30 1 32 15 31 1 33 15 32 1 @SUBSTRUCTURE 1 noname 1