@MOLECULE 72941549 32 31 1 SMALL USER_CHARGES @ATOM 1 N1 -1.7389 -0.3519 1.8245 N.2 1 noname -0.2552 2 N2 0.7140 -1.5056 -1.9358 N.2 1 noname -0.2552 3 N3 -0.5496 -0.7826 -0.1083 N.3 1 noname -0.0001 4 N4 -1.4578 -1.1832 -2.2325 N.3 1 noname -0.1283 5 N5 -2.9399 -0.5871 -0.0109 N.3 1 noname -0.1283 6 C1 -2.8920 -0.2520 2.6477 C.3 1 noname 0.0473 7 C2 0.8712 -2.0453 -3.2544 C.3 1 noname 0.0473 8 C3 -2.6956 0.4875 3.9886 C.3 1 noname -0.0428 9 C4 -3.5181 -1.6725 2.8448 C.3 1 noname -0.0428 10 C5 2.2808 -1.8983 -3.8575 C.3 1 noname -0.0428 11 C6 0.3588 -3.5232 -3.2695 C.3 1 noname -0.0428 12 C7 -1.7304 -0.5847 0.5558 C.2 1 noname -0.1069 13 C8 -0.4139 -1.1345 -1.4063 C.2 1 noname -0.1069 14 H1 -3.6374 0.3796 2.1568 H 1 noname 0.0546 15 H2 0.2432 -1.4838 -3.9557 H 1 noname 0.0546 16 H3 0.3682 -3.9280 -4.2845 H 1 noname 0.0252 17 H4 0.9863 -4.1463 -2.6294 H 1 noname 0.0252 18 H5 -0.6655 -3.5937 -2.8999 H 1 noname 0.0252 19 H6 2.2907 -2.2785 -4.8878 H 1 noname 0.0252 20 H7 3.0237 -2.4443 -3.2718 H 1 noname 0.0252 21 H8 2.5573 -0.8401 -3.8906 H 1 noname 0.0252 22 H9 -4.4809 -1.5947 3.3483 H 1 noname 0.0252 23 H10 -3.7060 -2.1846 1.8996 H 1 noname 0.0252 24 H11 -2.8490 -2.3128 3.4222 H 1 noname 0.0252 25 H12 -3.6638 0.5713 4.4930 H 1 noname 0.0252 26 H13 -2.0028 -0.0393 4.6426 H 1 noname 0.0252 27 H14 -2.3275 1.4982 3.8005 H 1 noname 0.0252 28 H15 0.2690 -0.7246 0.4285 H 1 noname 0.1392 29 H16 -3.0699 -0.3769 -0.9135 H 1 noname 0.1267 30 H17 -3.7473 -0.6634 0.5153 H 1 noname 0.1267 31 H18 -2.3522 -0.9507 -2.0335 H 1 noname 0.1267 32 H19 -1.4427 -2.0196 -2.7235 H 1 noname 0.1267 @BOND 1 1 6 1 2 1 12 2 3 2 7 1 4 2 13 2 5 3 12 1 6 3 13 1 7 3 28 1 8 4 13 1 9 4 31 1 10 4 32 1 11 5 12 1 12 5 29 1 13 5 30 1 14 6 8 1 15 6 9 1 16 6 14 1 17 7 10 1 18 7 11 1 19 7 15 1 20 8 25 1 21 8 26 1 22 8 27 1 23 9 22 1 24 9 23 1 25 9 24 1 26 10 19 1 27 10 20 1 28 10 21 1 29 11 16 1 30 11 17 1 31 11 18 1 @SUBSTRUCTURE 1 noname 1