@MOLECULE UIP_H5555_1YPE 65 70 0 0 0 SMALL USER_CHARGES @ATOM 1 C1 20.9020 -12.0300 18.5770 C.3 1 <0> -0.0636 2 C2 14.0640 -9.9390 21.5120 C.ar 1 <0> -0.0524 3 C3 13.6580 -12.3050 21.3750 C.ar 1 <0> -0.0524 4 C4 13.0340 -9.7900 22.4220 C.ar 1 <0> -0.0465 5 C5 12.5950 -12.1660 22.2840 C.ar 1 <0> -0.0465 6 C6 19.4920 -13.6940 24.3040 C.ar 1 <0> -0.0545 7 C7 20.3820 -13.3700 25.3500 C.ar 1 <0> -0.0287 8 C8 21.2620 -14.2250 22.7050 C.ar 1 <0> -0.0244 9 C9 15.1810 -12.4830 16.7170 C.3 1 <0> -0.0074 10 C10 16.5850 -12.0440 17.0900 C.3 1 <0> -0.0045 11 C11 14.3780 -12.4050 18.0400 C.3 1 <0> -0.0308 12 C12 23.9540 -13.7110 25.0730 C.3 1 <0> 0.1600 13 C13 20.2760 -12.1470 19.9730 C.3 1 <0> -0.0366 14 C14 18.8590 -14.4250 21.9280 C.3 1 <0> 0.0401 15 C15 14.4080 -11.1940 20.9800 C.ar 1 <0> 0.0010 16 C16 12.2760 -10.9070 22.8150 C.ar 1 <0> 0.0611 17 C17 19.8900 -14.1260 22.9970 C.ar 1 <0> -0.0275 18 C18 21.7340 -13.4580 25.0110 C.ar 1 <0> 0.1090 19 C19 22.1660 -13.8890 23.7400 C.ar 1 <0> 0.1093 20 C20 16.7410 -12.7050 18.4770 C.3 1 <0> -0.0146 21 C21 18.8750 -12.8050 19.8750 C.3 1 <0> 0.0349 22 C22 15.5400 -11.3240 19.9990 C.3 1 <0> 0.0171 23 C23 17.7720 -11.8600 19.2980 C.3 1 <0> 0.0372 24 C24 16.9660 -11.4190 20.5600 C.3 1 <0> 0.0923 25 C25 17.1700 -12.6420 21.4890 C.2 1 <0> 0.2255 26 C26 11.2010 -10.8070 23.7380 C.cat 1 <0> 0.2605 27 N1 10.8160 -9.6400 24.3190 N.pl3 1 <0> -0.3060 28 N2 10.4780 -11.8790 24.1020 N.pl3 1 <0> -0.2158 29 N3 15.3840 -12.5390 19.1310 N.4 1 <0> 0.2436 30 N4 18.3590 -13.2410 21.1420 N.am 1 <0> -0.2932 31 O1 16.6000 -12.7760 22.6030 O.2 1 <0> -0.2750 32 O2 22.8270 -13.0620 25.7580 O.3 1 <0> -0.3151 33 O3 23.5520 -14.1020 23.7340 O.3 1 <0> -0.3150 34 H1 21.8944 -11.5625 18.6576 H 1 <0> 0.0230 35 H2 21.0039 -13.0325 18.1358 H 1 <0> 0.0230 36 H3 20.2563 -11.4112 17.9365 H 1 <0> 0.0230 37 H4 14.6200 -9.0669 21.2011 H 1 <0> 0.0622 38 H5 13.8976 -13.2803 20.9778 H 1 <0> 0.0622 39 H6 12.8116 -8.8155 22.8310 H 1 <0> 0.0626 40 H7 12.0206 -13.0330 22.5753 H 1 <0> 0.0626 41 H8 18.4338 -13.6103 24.5030 H 1 <0> 0.0622 42 H9 20.0449 -13.0775 26.3335 H 1 <0> 0.0644 43 H10 21.6102 -14.5435 21.7335 H 1 <0> 0.0647 44 H11 14.7493 -11.8200 15.9527 H 1 <0> 0.0319 45 H12 15.1807 -13.5065 16.3140 H 1 <0> 0.0319 46 H13 17.3393 -12.3956 16.3707 H 1 <0> 0.0322 47 H14 16.6844 -10.9494 17.1336 H 1 <0> 0.0322 48 H15 13.8456 -11.4455 18.1166 H 1 <0> 0.0815 49 H16 13.6352 -13.2146 18.0933 H 1 <0> 0.0815 50 H17 24.7977 -13.0080 25.0107 H 1 <0> 0.0880 51 H18 24.2601 -14.6037 25.6381 H 1 <0> 0.0880 52 H19 20.9240 -12.7662 20.6107 H 1 <0> 0.0281 53 H20 20.1756 -11.1430 20.4111 H 1 <0> 0.0281 54 H21 19.3207 -15.1218 21.2130 H 1 <0> 0.0514 55 H22 17.9899 -14.8772 22.4281 H 1 <0> 0.0514 56 H23 17.0698 -13.7532 18.4207 H 1 <0> 0.0855 57 H24 19.0642 -13.6533 19.2008 H 1 <0> 0.0505 58 H25 15.4522 -10.3674 19.4630 H 1 <0> 0.0912 59 H26 18.2098 -11.0557 18.6884 H 1 <0> 0.0383 60 H27 17.2244 -10.4895 21.0884 H 1 <0> 0.0459 61 H28 10.0491 -9.6301 24.9607 H 1 <0> 0.1477 62 H29 11.2997 -8.7914 24.1048 H 1 <0> 0.1477 63 H30 9.7252 -11.7770 24.7524 H 1 <0> 0.4359 64 H31 10.6925 -12.7790 23.7226 H 1 <0> 0.4359 65 H32 15.0708 -13.3018 19.6967 H 1 <0> 0.2043 @BOND 1 1 13 1 2 2 4 ar 3 2 15 ar 4 3 5 ar 5 3 15 ar 6 4 16 ar 7 5 16 ar 8 6 7 ar 9 6 17 ar 10 7 18 ar 11 8 17 ar 12 8 19 ar 13 9 10 1 14 9 11 1 15 10 20 1 16 11 29 1 17 12 32 1 18 12 33 1 19 13 21 1 20 14 17 1 21 14 30 1 22 15 22 1 23 16 26 1 24 18 19 ar 25 18 32 1 26 19 33 1 27 20 23 1 28 20 29 1 29 21 23 1 30 21 30 1 31 22 24 1 32 22 29 1 33 23 24 1 34 24 25 1 35 25 30 am 36 25 31 2 37 26 27 1 38 26 28 2 39 1 34 1 40 1 35 1 41 1 36 1 42 2 37 1 43 3 38 1 44 4 39 1 45 5 40 1 46 6 41 1 47 7 42 1 48 8 43 1 49 9 44 1 50 9 45 1 51 10 46 1 52 10 47 1 53 11 48 1 54 11 49 1 55 12 50 1 56 12 51 1 57 13 52 1 58 13 53 1 59 14 54 1 60 14 55 1 61 20 56 1 62 21 57 1 63 22 58 1 64 23 59 1 65 24 60 1 66 27 61 1 67 27 62 1 68 28 63 1 69 28 64 1 70 29 65 1