@MOLECULE 71586917 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -1.0270 -0.2598 0.7300 O.3 1 noname -0.3870 2 O2 -3.1236 -4.4113 -2.5860 O.3 1 noname -0.2759 3 O3 -4.4207 -2.4465 -3.9877 O.3 1 noname -0.2762 4 N1 1.1287 -2.0045 1.3295 N.3 1 noname -0.3115 5 C1 0.0943 -2.3600 0.3594 C.3 1 noname 0.0258 6 C2 -0.4658 -1.0871 -0.2784 C.3 1 noname 0.0916 7 C3 1.6639 -3.2209 1.9390 C.3 1 noname 0.0013 8 C4 -1.4987 -1.4422 -1.2472 C.2 1 noname -0.0457 9 C5 2.7464 -2.8488 2.9543 C.3 1 noname -0.0500 10 C6 0.5369 -3.9744 2.6482 C.3 1 noname -0.0500 11 C7 -1.8242 -2.7769 -1.4585 C.2 1 noname -0.0120 12 C8 -2.1568 -0.4454 -1.9583 C.2 1 noname -0.0521 13 C9 -2.8076 -3.1149 -2.3808 C.2 1 noname 0.0254 14 C10 -3.1402 -0.7835 -2.8806 C.2 1 noname -0.0209 15 C11 -3.4656 -2.1182 -3.0919 C.2 1 noname 0.0226 16 H1 -0.7086 -2.8969 0.8647 H 1 noname 0.0458 17 H2 0.5251 -2.9951 -0.4147 H 1 noname 0.0458 18 H3 0.3371 -0.5503 -0.7837 H 1 noname 0.0665 19 H4 2.0947 -3.8559 1.1649 H 1 noname 0.0459 20 H5 1.8815 -1.5012 0.8558 H 1 noname 0.1225 21 H6 0.9360 -4.8812 3.1027 H 1 noname 0.0246 22 H7 -0.2342 -4.2394 1.9250 H 1 noname 0.0246 23 H8 0.1062 -3.3393 3.4223 H 1 noname 0.0246 24 H9 3.1455 -3.7556 3.4087 H 1 noname 0.0246 25 H10 2.3157 -2.2137 3.7284 H 1 noname 0.0246 26 H11 3.5493 -2.3120 2.4490 H 1 noname 0.0246 27 H12 -1.3413 -3.5084 -0.9367 H 1 noname 0.0654 28 H13 -1.9180 0.5340 -1.8033 H 1 noname 0.0627 29 H14 -1.7488 -0.7424 1.1843 H 1 noname 0.2109 30 H15 -3.6231 -0.0520 -3.4024 H 1 noname 0.0651 31 H16 -2.5701 -4.9778 -2.0088 H 1 noname 0.2183 32 H17 -4.7795 -1.6312 -4.3963 H 1 noname 0.2183 @BOND 1 1 6 1 2 1 29 1 3 2 13 1 4 2 31 1 5 3 15 1 6 3 32 1 7 4 5 1 8 4 7 1 9 4 20 1 10 5 6 1 11 5 16 1 12 5 17 1 13 6 8 1 14 6 18 1 15 7 9 1 16 7 10 1 17 7 19 1 18 8 11 2 19 8 12 1 20 9 24 1 21 9 25 1 22 9 26 1 23 10 21 1 24 10 22 1 25 10 23 1 26 11 13 1 27 11 27 1 28 12 14 2 29 12 28 1 30 13 15 2 31 14 15 1 32 14 30 1 @SUBSTRUCTURE 1 noname 1