@MOLECULE FDBD01588 61 60 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.8589 1.9125 1.5600 C.3 1 UNK -0.0609 2 C1 1.7012 1.0253 -0.6385 C.3 1 UNK -0.0609 3 C2 -2.8739 2.0728 0.8822 C.3 1 UNK -0.0215 4 C3 -1.7323 4.4491 -0.6181 C.3 1 UNK -0.0431 5 C4 -2.9177 2.8089 -1.9268 C.3 1 UNK -0.0431 6 C5 0.6936 -3.9080 -1.3320 C.ar 1 UNK -0.0617 7 C6 0.6730 -3.7652 0.0564 C.ar 1 UNK -0.0615 8 C7 0.3582 -2.8239 -2.1500 C.ar 1 UNK -0.0615 9 C8 0.3342 -2.5354 0.6269 C.ar 1 UNK -0.0571 10 C9 0.0154 -1.5976 -1.5747 C.ar 1 UNK -0.0571 11 C10 -1.2480 0.7082 -0.5114 C.3 1 UNK 0.0128 12 C11 -1.0073 -0.2907 1.7209 C.1 1 UNK 0.0744 13 C12 1.0171 0.6491 0.6901 C.3 1 UNK -0.0240 14 C13 -1.5956 2.1171 0.0166 C.3 1 UNK -0.0225 15 C14 0.0143 -1.4440 -0.1839 C.ar 1 UNK -0.0271 16 C15 -0.3245 -0.0855 0.4446 C.3 1 UNK 0.0895 17 N -1.5429 -0.4518 2.7345 N.1 1 UNK -0.1956 18 N1 -1.7231 3.0637 -1.1052 N.4 1 UNK 0.2329 19 C16 6.7367 0.8519 0.1079 C.3 1 UNK 0.0214 20 C17 6.7709 -1.4311 -0.9578 C.3 1 UNK 0.0214 21 C18 5.9547 2.1184 0.3031 C.2 1 UNK 0.0448 22 C19 7.5219 -1.9893 0.2180 C.2 1 UNK 0.0448 23 C20 4.7829 -0.7289 0.3655 C.2 1 UNK 0.0739 24 C21 5.8718 -0.2422 -0.5576 C.3 1 UNK 0.1150 25 O 5.4360 2.3261 1.4329 O.co2 1 UNK -0.5497 26 O1 5.8660 2.9115 -0.6717 O.co2 1 UNK -0.5497 27 O2 8.6287 -1.4627 0.5142 O.co2 1 UNK -0.5497 28 O3 7.0143 -2.9626 0.8372 O.co2 1 UNK -0.5497 29 O4 3.7055 -1.1378 -0.1458 O.co2 1 UNK -0.5468 30 O5 4.9870 -0.6841 1.6084 O.co2 1 UNK -0.5468 31 O6 5.2873 0.2875 -1.7519 O.3 1 UNK -0.3821 32 H 1.8144 2.3749 1.6944 H 1 UNK 0.0233 33 H1 0.4568 1.6409 2.5136 H 1 UNK 0.0233 34 H2 0.1957 2.5983 1.0756 H 1 UNK 0.0233 35 H3 2.6226 1.5298 -0.4349 H 1 UNK 0.0233 36 H4 1.0583 1.6699 -1.2007 H 1 UNK 0.0233 37 H5 1.8977 0.1374 -1.2024 H 1 UNK 0.0233 38 H6 -2.7388 1.3755 1.6825 H 1 UNK 0.0284 39 H7 -3.7029 1.7669 0.2787 H 1 UNK 0.0284 40 H8 -3.0657 3.0453 1.2851 H 1 UNK 0.0284 41 H9 -1.8255 5.1183 -1.4478 H 1 UNK 0.0777 42 H10 -0.8190 4.6505 -0.0983 H 1 UNK 0.0777 43 H11 -2.5591 4.5879 0.0467 H 1 UNK 0.0777 44 H12 -2.9612 3.5217 -2.7236 H 1 UNK 0.0777 45 H13 -3.7941 2.8988 -1.3195 H 1 UNK 0.0777 46 H14 -2.8661 1.8210 -2.3345 H 1 UNK 0.0777 47 H15 0.9559 -4.8123 -1.7545 H 1 UNK 0.0618 48 H16 0.9079 -4.5676 0.6614 H 1 UNK 0.0618 49 H17 0.3639 -2.9297 -3.1765 H 1 UNK 0.0618 50 H18 0.3203 -2.4329 1.6537 H 1 UNK 0.0621 51 H19 -0.2385 -0.8005 -2.1791 H 1 UNK 0.0621 52 H20 -0.7547 0.8100 -1.4554 H 1 UNK 0.0338 53 H21 -2.1648 0.1632 -0.5964 H 1 UNK 0.0338 54 H22 1.6330 -0.0426 1.2260 H 1 UNK 0.0314 55 H23 -0.7999 2.4619 0.6434 H 1 UNK 0.0849 56 H24 -0.9080 2.9212 -1.7016 H 1 UNK 0.2030 57 H25 7.0734 0.4993 1.0604 H 1 UNK 0.0357 58 H26 7.5681 1.0623 -0.5320 H 1 UNK 0.0357 59 H27 6.1580 -2.2029 -1.3743 H 1 UNK 0.0357 60 H28 7.4870 -1.0788 -1.6705 H 1 UNK 0.0357 61 H29 5.9890 0.6000 -2.3442 H 1 UNK 0.2107 @BOND 1 7 6 ar 2 8 6 ar 3 9 7 ar 4 10 8 ar 5 13 1 1 6 13 2 1 7 14 3 1 8 14 11 1 9 15 9 ar 10 15 10 ar 11 11 16 1 12 16 12 1 13 16 13 1 14 16 15 1 15 12 17 3 16 18 4 1 17 18 5 1 18 18 14 1 19 19 21 1 20 20 22 1 21 24 19 1 22 24 20 1 23 24 23 1 24 21 25 ar 25 21 26 ar 26 22 27 ar 27 22 28 ar 28 23 29 ar 29 23 30 ar 30 24 31 1 31 1 32 1 32 1 33 1 33 1 34 1 34 2 35 1 35 2 36 1 36 2 37 1 37 3 38 1 38 3 39 1 39 3 40 1 40 4 41 1 41 4 42 1 42 4 43 1 43 5 44 1 44 5 45 1 45 5 46 1 46 6 47 1 47 7 48 1 48 8 49 1 49 9 50 1 50 10 51 1 51 11 52 1 52 11 53 1 53 13 54 1 54 14 55 1 55 18 56 1 56 19 57 1 57 19 58 1 58 20 59 1 59 20 60 1 60 31 61 1