@MOLECULE 58800432 32 35 1 SMALL USER_CHARGES @ATOM 1 C1 -0.0061 0.0360 -0.1944 C.2 1 noname -0.0238 2 C2 1.0093 -0.4002 -1.0998 C.2 1 noname -0.0278 3 C3 -0.8837 1.1345 -0.5161 C.2 1 noname -0.0441 4 C4 -0.1252 -0.6619 1.0497 C.2 1 noname -0.0415 5 C5 1.1623 0.2541 -2.3479 C.2 1 noname -0.0354 6 C6 -0.6700 1.8100 -1.7828 C.2 1 noname -0.0401 7 C7 1.8691 -1.4945 -0.7679 C.2 1 noname -0.0349 8 C8 -1.9089 1.4556 0.4473 C.2 1 noname -0.0438 9 C9 0.3220 1.3287 -2.6738 C.2 1 noname -0.0474 10 C10 0.7236 -1.7421 1.3683 C.2 1 noname -0.0434 11 C11 -1.1145 -0.2726 1.9787 C.2 1 noname -0.0476 12 C12 1.7170 -2.1565 0.4667 C.2 1 noname -0.0420 13 C13 -1.9803 0.7766 1.6797 C.2 1 noname -0.0584 14 C14 2.1695 -0.1684 -3.2523 C.2 1 noname -0.0456 15 C15 2.8703 -1.9037 -1.6897 C.2 1 noname -0.0457 16 C16 -1.3628 3.0268 -2.2911 C.3 1 noname 0.0024 17 C17 3.0164 -1.2419 -2.9195 C.2 1 noname -0.0529 18 C18 -3.0323 2.4107 0.3098 C.3 1 noname 0.0018 19 H1 0.4607 1.7811 -3.5871 H 1 noname 0.0632 20 H2 0.6340 -2.2431 2.2629 H 1 noname 0.0629 21 H3 -1.2224 -0.7518 2.8726 H 1 noname 0.0629 22 H4 2.3266 -2.9431 0.7252 H 1 noname 0.0629 23 H5 -2.6765 1.0169 2.4151 H 1 noname 0.0625 24 H6 2.2948 0.3051 -4.1591 H 1 noname 0.0629 25 H7 3.4958 -2.6833 -1.4666 H 1 noname 0.0629 26 H8 -0.6397 3.7016 -2.7318 H 1 noname 0.0280 27 H9 -1.8836 3.6033 -1.5486 H 1 noname 0.0280 28 H10 -2.0918 2.7075 -3.0382 H 1 noname 0.0280 29 H11 -3.5078 2.2741 -0.6541 H 1 noname 0.0280 30 H12 -3.7594 2.2329 1.1021 H 1 noname 0.0280 31 H13 -2.6470 3.4303 0.3095 H 1 noname 0.0280 32 H14 3.7422 -1.5386 -3.5832 H 1 noname 0.0623 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 2 5 1 5 2 7 2 6 3 6 1 7 3 8 2 8 4 10 1 9 4 11 1 10 5 9 1 11 5 14 2 12 6 9 2 13 6 16 1 14 7 12 1 15 7 15 1 16 8 13 1 17 8 18 1 18 9 19 1 19 10 12 2 20 10 20 1 21 11 13 2 22 11 21 1 23 12 22 1 24 13 23 1 25 14 17 1 26 14 24 1 27 15 17 2 28 15 25 1 29 16 26 1 30 16 27 1 31 16 28 1 32 17 32 1 33 18 29 1 34 18 30 1 35 18 31 1 @SUBSTRUCTURE 1 noname 1