@MOLECULE DB01539 34 35 1 SMALL USER_CHARGES @ATOM 1 N1 -1.7332 1.1508 -1.1482 N.1 1 noname -0.1876 2 C1 -0.8312 0.8681 -0.4968 C.1 1 noname 0.0763 3 C2 0.2391 0.5327 0.2759 C.3 1 noname 0.1088 4 N2 -0.3341 -0.5646 1.1161 N.3 1 noname -0.2855 5 C3 1.3148 0.0252 -0.7502 C.3 1 noname -0.0211 6 C4 0.6608 1.7853 1.1223 C.3 1 noname -0.0211 7 C5 -1.3211 -1.4609 0.3923 C.3 1 noname -0.0003 8 C6 0.5922 -1.1851 2.1454 C.3 1 noname -0.0003 9 C7 2.7387 0.6819 -0.7359 C.3 1 noname -0.0505 10 C8 2.1137 1.6637 1.6744 C.3 1 noname -0.0505 11 C9 -1.3365 -2.9496 0.8629 C.3 1 noname -0.0403 12 C10 1.1746 -2.5379 1.6648 C.3 1 noname -0.0403 13 C11 3.1697 1.4172 0.5634 C.3 1 noname -0.0531 14 C12 0.0611 -3.5565 1.2599 C.3 1 noname -0.0509 15 H1 1.4875 -1.0166 -0.4802 H 1 noname 0.0296 16 H2 0.9049 0.2737 -1.7291 H 1 noname 0.0296 17 H3 0.6697 2.6306 0.4342 H 1 noname 0.0296 18 H4 0.0072 1.7994 1.9945 H 1 noname 0.0296 19 H5 -2.3025 -1.0557 0.6388 H 1 noname 0.0431 20 H6 -0.9817 -1.4747 -0.6434 H 1 noname 0.0431 21 H7 1.4343 -0.4994 2.2394 H 1 noname 0.0431 22 H8 -0.0311 -1.4048 3.0122 H 1 noname 0.0431 23 H9 3.4387 -0.1478 -0.8339 H 1 noname 0.0267 24 H10 2.7043 1.4590 -1.4995 H 1 noname 0.0267 25 H11 2.3548 2.6352 2.1057 H 1 noname 0.0267 26 H12 2.1248 0.7715 2.3005 H 1 noname 0.0267 27 H13 -1.9286 -2.9548 1.7780 H 1 noname 0.0279 28 H14 -1.6682 -3.5208 -0.0041 H 1 noname 0.0279 29 H15 1.7333 -2.3179 0.7551 H 1 noname 0.0279 30 H16 1.6842 -2.9685 2.5267 H 1 noname 0.0279 31 H17 3.9060 0.7581 1.0234 H 1 noname 0.0266 32 H18 3.4616 2.4143 0.2336 H 1 noname 0.0266 33 H19 -0.1239 -4.1464 2.1576 H 1 noname 0.0267 34 H20 0.4337 -4.0402 0.3570 H 1 noname 0.0267 @BOND 1 1 2 3 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 1 10 7 11 1 11 8 12 1 12 9 13 1 13 10 13 1 14 11 14 1 15 12 14 1 16 5 15 1 17 5 16 1 18 6 17 1 19 6 18 1 20 7 19 1 21 7 20 1 22 8 21 1 23 8 22 1 24 9 23 1 25 9 24 1 26 10 25 1 27 10 26 1 28 11 27 1 29 11 28 1 30 12 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1 @SUBSTRUCTURE 1 noname 1