@MOLECULE DB06654 41 42 1 SMALL USER_CHARGES @ATOM 1 F1 -0.5390 -0.6930 1.0457 F 1 noname -0.1652 2 C1 0.1050 0.0684 0.2102 C.2 1 noname 0.0258 3 C2 1.4784 0.2378 0.3411 C.2 1 noname 0.0032 4 C3 -0.5803 0.7124 -0.8133 C.2 1 noname -0.0079 5 C4 2.1665 1.0513 -0.5516 C.2 1 noname -0.0269 6 C5 0.1078 1.5259 -1.7060 C.2 1 noname -0.0420 7 C6 1.4812 1.6953 -1.5752 C.2 1 noname -0.0521 8 C7 3.6091 1.2292 -0.4142 C.3 1 noname 0.0785 9 O1 3.8706 2.3399 0.4310 O.3 1 noname -0.2718 10 C8 5.2045 2.5045 0.5581 C.2 1 noname 0.0005 11 C9 5.7058 3.5360 1.3434 C.2 1 noname -0.0277 12 C10 6.0766 1.6424 -0.0964 C.2 1 noname -0.0277 13 C11 7.0792 3.7054 1.4743 C.2 1 noname -0.0433 14 C12 7.4500 1.8118 0.0344 C.2 1 noname -0.0433 15 C13 7.9513 2.8433 0.8198 C.2 1 noname -0.0595 16 C14 9.3939 3.0213 0.9572 C.3 1 noname 0.0213 17 N1 9.8738 2.2462 2.1002 N.3 1 noname -0.3024 18 C15 11.3184 2.4244 2.2378 C.3 1 noname 0.0785 19 C16 11.7977 1.6504 3.3792 C.2 1 noname 0.0410 20 C17 11.6308 3.9058 2.4588 C.3 1 noname -0.0412 21 O2 12.6517 0.7531 3.2116 O.2 1 noname -0.2926 22 N2 11.3221 1.9019 4.6065 N.3 1 noname -0.0854 23 H1 2.0158 -0.2673 1.1437 H 1 noname 0.0657 24 H2 -1.6573 0.5796 -0.9159 H 1 noname 0.0653 25 H3 -0.4297 2.0309 -2.5086 H 1 noname 0.0623 26 H4 2.0208 2.3332 -2.2752 H 1 noname 0.0626 27 H5 3.9950 0.3521 0.1052 H 1 noname 0.0623 28 H6 3.9972 1.4950 -1.3975 H 1 noname 0.0623 29 H7 5.0220 4.2120 1.8566 H 1 noname 0.0650 30 H8 5.6835 0.8335 -0.7122 H 1 noname 0.0650 31 H9 7.4724 4.5143 2.0901 H 1 noname 0.0626 32 H10 8.1339 1.1357 -0.4788 H 1 noname 0.0626 33 H11 9.8503 2.5867 0.0678 H 1 noname 0.0478 34 H12 9.5595 4.0716 1.1969 H 1 noname 0.0478 35 H13 9.2967 1.6759 2.7016 H 1 noname 0.1233 36 H14 11.7975 2.0361 1.3390 H 1 noname 0.0559 37 H15 11.6743 4.1123 3.5282 H 1 noname 0.0251 38 H16 12.5911 4.1466 2.0029 H 1 noname 0.0251 39 H17 10.8494 4.5138 2.0029 H 1 noname 0.0251 40 H18 11.9585 1.9966 5.3850 H 1 noname 0.1271 41 H19 10.3273 1.9966 4.7529 H 1 noname 0.1271 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 8 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 11 13 1 14 12 14 2 15 13 15 2 16 14 15 1 17 15 16 1 18 16 17 1 19 18 17 1 20 18 19 1 21 18 20 1 22 19 21 2 23 19 22 1 24 3 23 1 25 4 24 1 26 6 25 1 27 7 26 1 28 8 27 1 29 8 28 1 30 11 29 1 31 12 30 1 32 13 31 1 33 14 32 1 34 16 33 1 35 16 34 1 36 17 35 1 37 18 36 1 38 20 37 1 39 20 38 1 40 20 39 1 41 22 40 1 42 22 41 1 @SUBSTRUCTURE 1 noname 1