@MOLECULE FDBD00748 49 52 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.9978 0.4808 0.3579 O.2 1 UNK -0.2684 2 N 6.3614 3.9875 0.8105 N.4 1 UNK 0.2375 3 N1 5.2116 0.0535 0.3844 N.am 1 UNK -0.3067 4 N2 4.5306 -2.7398 -0.0866 N.ar 1 UNK -0.1573 5 N3 3.8993 -3.8988 -0.2980 N.ar 1 UNK -0.1100 6 C 5.8145 3.7168 -0.5320 C.3 1 UNK -0.0192 7 C1 7.4473 3.0512 1.1554 C.3 1 UNK -0.0192 8 C2 5.3030 2.2652 -0.6761 C.3 1 UNK 0.0090 9 C3 6.9974 1.5743 1.0768 C.3 1 UNK 0.0090 10 C4 5.5317 1.4504 0.6140 C.3 1 UNK 0.0336 11 C5 6.9234 3.9720 -1.5735 C.3 1 UNK -0.0094 12 C6 8.6200 3.2799 0.1797 C.3 1 UNK -0.0094 13 C7 8.1479 3.0806 -1.2762 C.3 1 UNK -0.0429 14 C8 5.3178 4.0540 1.8459 C.3 1 UNK -0.0426 15 C9 3.9202 -0.3141 0.2711 C.2 1 UNK 0.2666 16 C10 3.5988 -1.7692 0.0265 C.ar 1 UNK 0.1712 17 C11 2.3403 -2.3428 -0.1195 C.ar 1 UNK 0.0819 18 C12 2.5686 -3.6945 -0.3239 C.ar 1 UNK 0.2409 19 C13 1.0564 -1.7981 -0.0894 C.ar 1 UNK -0.0459 20 C14 1.5129 -4.5876 -0.5118 C.ar 1 UNK 0.0126 21 C15 4.5478 -5.1649 -0.4703 C.3 1 UNK 0.1645 22 C16 -0.0065 -2.6889 -0.2773 C.ar 1 UNK -0.0607 23 C17 0.2179 -4.0569 -0.4845 C.ar 1 UNK -0.0554 24 H 6.7755 4.9191 0.7778 H 1 UNK 0.2036 25 H1 5.9289 -0.6170 0.3124 H 1 UNK 0.1493 26 H2 5.5052 -2.6155 -0.0242 H 1 UNK 0.2368 27 H3 4.9789 4.3666 -0.6883 H 1 UNK 0.0852 28 H4 7.7418 3.2410 2.1664 H 1 UNK 0.0852 29 H5 5.8239 1.7921 -1.4822 H 1 UNK 0.0338 30 H6 4.2509 2.2991 -0.8678 H 1 UNK 0.0338 31 H7 7.0943 1.1299 2.0453 H 1 UNK 0.0338 32 H8 7.6170 1.0736 0.3625 H 1 UNK 0.0338 33 H9 4.8916 1.8399 1.3778 H 1 UNK 0.0502 34 H10 7.2165 5.0003 -1.5332 H 1 UNK 0.0320 35 H11 6.5485 3.7373 -2.5478 H 1 UNK 0.0320 36 H12 9.4016 2.5821 0.3966 H 1 UNK 0.0320 37 H13 8.9812 4.2803 0.2960 H 1 UNK 0.0320 38 H14 8.9432 3.3407 -1.9431 H 1 UNK 0.0269 39 H15 7.8719 2.0560 -1.4136 H 1 UNK 0.0269 40 H16 4.8396 3.1007 1.9320 H 1 UNK 0.0778 41 H17 4.5933 4.7933 1.5751 H 1 UNK 0.0778 42 H18 5.7618 4.3163 2.7834 H 1 UNK 0.0778 43 H19 0.8985 -0.7898 0.0636 H 1 UNK 0.0626 44 H20 1.6795 -5.5946 -0.6641 H 1 UNK 0.0684 45 H21 5.6077 -5.0348 -0.4032 H 1 UNK 0.1016 46 H22 4.2977 -5.5660 -1.4302 H 1 UNK 0.1016 47 H23 4.2222 -5.8393 0.2939 H 1 UNK 0.1016 48 H24 -0.9746 -2.3316 -0.2630 H 1 UNK 0.0618 49 H25 -0.5888 -4.6862 -0.6198 H 1 UNK 0.0620 @BOND 1 15 1 2 2 6 2 1 3 7 2 1 4 2 14 1 5 3 10 1 6 15 3 am 7 4 5 ar 8 16 4 ar 9 5 18 ar 10 5 21 1 11 8 6 1 12 6 11 1 13 9 7 1 14 7 12 1 15 10 8 1 16 10 9 1 17 11 13 1 18 12 13 1 19 15 16 1 20 16 17 ar 21 17 18 ar 22 17 19 ar 23 18 20 ar 24 19 22 ar 25 20 23 ar 26 22 23 ar 27 2 24 1 28 3 25 1 29 4 26 1 30 6 27 1 31 7 28 1 32 8 29 1 33 8 30 1 34 9 31 1 35 9 32 1 36 10 33 1 37 11 34 1 38 11 35 1 39 12 36 1 40 12 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 14 42 1 46 19 43 1 47 20 44 1 48 21 45 1 49 21 46 1 50 21 47 1 51 22 48 1 52 23 49 1