@MOLECULE 71356702 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 3.4336 -1.4083 -0.0759 O.3 1 noname -0.3786 2 C1 2.3184 -0.7250 -0.6288 C.3 1 noname 0.0624 3 C2 1.1451 -0.7870 0.3513 C.3 1 noname -0.0241 4 C3 -0.0565 -0.0508 -0.2445 C.3 1 noname -0.0465 5 C4 1.9167 -1.3882 -1.9478 C.3 1 noname -0.0361 6 C5 2.6917 0.7363 -0.8857 C.3 1 noname -0.0361 7 C6 -1.2297 -0.1127 0.7356 C.3 1 noname -0.0284 8 C7 -2.3528 0.5754 0.1788 C.2 1 noname -0.0726 9 C8 3.0871 -2.7646 0.1625 C.3 1 noname 0.0363 10 C9 -3.4921 0.6499 0.8610 C.2 1 noname -0.0750 11 C10 -2.2581 1.1408 -1.0213 C.2 1 noname -0.0825 12 C11 -4.6517 0.7194 0.2133 C.2 1 noname -0.0870 13 H1 0.8792 -1.8281 0.5343 H 1 noname 0.0296 14 H2 1.4313 -0.3145 1.2910 H 1 noname 0.0296 15 H3 -0.3427 -0.5232 -1.1842 H 1 noname 0.0271 16 H4 0.2095 0.9903 -0.4275 H 1 noname 0.0271 17 H5 1.8356 1.2608 -1.3101 H 1 noname 0.0259 18 H6 2.9779 1.2088 0.0540 H 1 noname 0.0259 19 H7 1.0606 -0.8637 -2.3722 H 1 noname 0.0259 20 H8 1.6507 -2.4293 -1.7648 H 1 noname 0.0259 21 H9 2.7525 -1.3441 -2.6460 H 1 noname 0.0259 22 H10 3.5276 0.7804 -1.5839 H 1 noname 0.0259 23 H11 -1.4957 -1.1538 0.9186 H 1 noname 0.0315 24 H12 -0.9435 0.3597 1.6753 H 1 noname 0.0315 25 H13 3.9432 -3.2891 0.5870 H 1 noname 0.0529 26 H14 2.2513 -2.8088 0.8608 H 1 noname 0.0529 27 H15 2.8009 -3.2371 -0.7771 H 1 noname 0.0529 28 H16 -3.4770 0.6537 1.8509 H 1 noname 0.0619 29 H17 -1.4101 1.0853 -1.5291 H 1 noname 0.0540 30 H18 -3.0357 1.6171 -1.4068 H 1 noname 0.0540 31 H19 -4.6668 0.7157 -0.7765 H 1 noname 0.0538 32 H20 -5.4997 0.7750 0.7212 H 1 noname 0.0538 @BOND 1 1 2 1 2 1 9 1 3 2 3 1 4 2 5 1 5 2 6 1 6 3 4 1 7 3 13 1 8 3 14 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 19 1 13 5 20 1 14 5 21 1 15 6 17 1 16 6 18 1 17 6 22 1 18 7 8 1 19 7 23 1 20 7 24 1 21 8 10 1 22 8 11 2 23 9 25 1 24 9 26 1 25 9 27 1 26 10 12 2 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1