@MOLECULE 90478849 52 54 1 SMALL USER_CHARGES @ATOM 1 P1 -0.4426 -0.3875 1.7581 P.3 1 noname -0.0971 2 C1 0.3708 0.3779 0.4523 C.3 1 noname -0.0204 3 C2 -1.9073 -1.1564 1.2347 C.3 1 noname -0.0204 4 C3 0.5683 -1.4339 2.6866 C.3 1 noname -0.0204 5 C4 0.6881 -0.5459 -0.7779 C.3 1 noname -0.0464 6 C5 1.5298 1.3563 0.8536 C.3 1 noname -0.0464 7 C6 -2.8047 -0.2329 0.2769 C.3 1 noname -0.0464 8 C7 -2.7628 -1.7733 2.4310 C.3 1 noname -0.0464 9 C8 1.3114 -2.5277 1.8489 C.3 1 noname -0.0464 10 C9 1.4998 -0.6369 3.6581 C.3 1 noname -0.0464 11 C10 2.0823 -0.3474 -1.4258 C.3 1 noname -0.0527 12 C11 2.9852 0.8463 0.6743 C.3 1 noname -0.0527 13 C12 -4.3428 -0.4521 0.3942 C.3 1 noname -0.0527 14 C13 -3.8795 -0.8294 2.9464 C.3 1 noname -0.0527 15 C14 2.1965 -3.4383 2.7037 C.3 1 noname -0.0527 16 C15 2.5336 -1.5340 4.3864 C.3 1 noname -0.0527 17 C16 3.2072 -2.5977 3.4966 C.3 1 noname -0.0532 18 C17 -4.8778 -0.3801 1.8497 C.3 1 noname -0.0532 19 C18 3.2859 0.0906 -0.5996 C.3 1 noname -0.0532 20 H1 -0.3627 1.1060 0.0913 H 1 noname 0.0352 21 H2 -1.5917 -2.0072 0.6093 H 1 noname 0.0352 22 H3 -0.0818 -1.9650 3.3606 H 1 noname 0.0352 23 H4 0.9091 -0.0629 4.3671 H 1 noname 0.0273 24 H5 2.0932 0.0914 3.1420 H 1 noname 0.0273 25 H6 0.6202 -3.1853 1.3287 H 1 noname 0.0273 26 H7 1.9576 -2.0848 1.1144 H 1 noname 0.0273 27 H8 -3.2093 -2.7304 2.1141 H 1 noname 0.0273 28 H9 -2.1942 -1.9874 3.3330 H 1 noname 0.0273 29 H10 -2.5566 -0.4300 -0.7698 H 1 noname 0.0273 30 H11 -2.6295 0.8379 0.4508 H 1 noname 0.0273 31 H12 1.3962 1.7351 1.8726 H 1 noname 0.0273 32 H13 1.4822 2.2697 0.2642 H 1 noname 0.0273 33 H14 -0.0473 -0.3236 -1.5676 H 1 noname 0.0273 34 H15 0.5368 -1.5989 -0.5620 H 1 noname 0.0273 35 H16 2.0668 -2.0345 5.2119 H 1 noname 0.0267 36 H17 3.3216 -0.8868 4.7531 H 1 noname 0.0267 37 H18 2.0042 0.4313 -2.1872 H 1 noname 0.0267 38 H19 2.3854 -1.2874 -1.8948 H 1 noname 0.0267 39 H20 3.3775 0.1665 1.4293 H 1 noname 0.0267 40 H21 3.6530 1.7050 0.7442 H 1 noname 0.0267 41 H22 -4.8625 0.2826 -0.2207 H 1 noname 0.0267 42 H23 -4.5331 -1.4685 0.0494 H 1 noname 0.0267 43 H24 -4.4235 -1.3176 3.7549 H 1 noname 0.0267 44 H25 -3.3785 0.0751 3.2915 H 1 noname 0.0267 45 H26 1.5735 -4.0053 3.3955 H 1 noname 0.0267 46 H27 2.7150 -4.1590 2.0713 H 1 noname 0.0267 47 H28 3.9042 -0.7772 -0.3700 H 1 noname 0.0266 48 H29 3.8702 0.7358 -1.2557 H 1 noname 0.0266 49 H30 -5.7934 -0.9662 1.9297 H 1 noname 0.0266 50 H31 -5.1292 0.6545 2.0831 H 1 noname 0.0266 51 H32 3.8197 -3.2538 4.1150 H 1 noname 0.0266 52 H33 3.8183 -2.0720 2.7629 H 1 noname 0.0266 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 2 20 1 7 3 7 1 8 3 8 1 9 3 21 1 10 4 9 1 11 4 10 1 12 4 22 1 13 5 11 1 14 5 33 1 15 5 34 1 16 6 12 1 17 6 31 1 18 6 32 1 19 7 13 1 20 7 29 1 21 7 30 1 22 8 14 1 23 8 27 1 24 8 28 1 25 9 15 1 26 9 25 1 27 9 26 1 28 10 16 1 29 10 23 1 30 10 24 1 31 11 19 1 32 11 37 1 33 11 38 1 34 12 19 1 35 12 39 1 36 12 40 1 37 13 18 1 38 13 41 1 39 13 42 1 40 14 18 1 41 14 43 1 42 14 44 1 43 15 17 1 44 15 45 1 45 15 46 1 46 16 17 1 47 16 35 1 48 16 36 1 49 17 51 1 50 17 52 1 51 18 49 1 52 18 50 1 53 19 47 1 54 19 48 1 @SUBSTRUCTURE 1 noname 1