@MOLECULE 57357361 28 30 1 SMALL USER_CHARGES @ATOM 1 O1 -1.3288 -0.9110 -1.3247 O.2 1 noname -0.2900 2 O2 3.2027 0.8528 3.3829 O.2 1 noname -0.2914 3 N1 1.4647 0.0908 0.4183 N.3 1 noname 0.0160 4 C1 1.9125 0.5175 -0.8767 C.3 1 noname 0.0242 5 C2 0.2438 -0.3938 0.3357 C.2 1 noname -0.0428 6 C3 0.8269 0.0454 -1.8503 C.3 1 noname 0.0283 7 C4 1.8925 0.0816 1.7032 C.2 1 noname -0.0387 8 C5 -0.2048 -0.4882 -0.9642 C.2 1 noname 0.1026 9 C6 -0.2597 -0.6465 1.6023 C.2 1 noname 0.0020 10 C7 0.7890 -0.3342 2.4576 C.2 1 noname 0.0012 11 C8 3.1816 0.3245 2.2455 C.2 1 noname 0.0635 12 C9 4.3953 -0.0286 1.5659 C.2 1 noname -0.0156 13 C10 5.6676 0.4537 1.9718 C.2 1 noname -0.0173 14 C11 4.3562 -0.8630 0.4296 C.2 1 noname -0.0173 15 C12 6.8110 0.2146 1.1778 C.2 1 noname -0.0471 16 C13 5.4137 -0.8660 -0.4893 C.2 1 noname -0.0471 17 C14 6.6579 -0.3617 -0.0964 C.2 1 noname -0.0409 18 H1 1.9423 1.5947 -0.9582 H 1 noname 0.0477 19 H2 2.8351 0.0782 -1.2734 H 1 noname 0.0477 20 H3 0.4302 0.9020 -2.3953 H 1 noname 0.0367 21 H4 1.1374 -0.7302 -2.5504 H 1 noname 0.0367 22 H5 -1.1939 -0.9736 1.8671 H 1 noname 0.0644 23 H6 0.7571 -0.4293 3.4738 H 1 noname 0.0644 24 H7 5.7911 0.9693 2.8541 H 1 noname 0.0630 25 H8 3.5409 -1.4426 0.1936 H 1 noname 0.0630 26 H9 7.7290 0.5044 1.4921 H 1 noname 0.0622 27 H10 5.2668 -1.2373 -1.4249 H 1 noname 0.0622 28 H11 7.4670 -0.4715 -0.7318 H 1 noname 0.0622 @BOND 1 1 8 2 2 2 11 2 3 3 4 1 4 3 5 1 5 3 7 1 6 4 6 1 7 4 18 1 8 4 19 1 9 5 8 1 10 5 9 2 11 6 8 1 12 6 20 1 13 6 21 1 14 7 10 2 15 7 11 1 16 9 10 1 17 9 22 1 18 10 23 1 19 11 12 1 20 12 13 2 21 12 14 1 22 13 15 1 23 13 24 1 24 14 16 2 25 14 25 1 26 15 17 2 27 15 26 1 28 16 17 1 29 16 27 1 30 17 28 1 @SUBSTRUCTURE 1 noname 1