@MOLECULE FDBD01651 75 78 0 0 0 SMALL USER_CHARGES @ATOM 1 N 19.3042 -4.1607 0.8024 N.ar 1 UNK -0.2211 2 C 19.2412 -5.4693 0.4800 C.ar 1 UNK 0.2213 3 C1 18.1825 -3.4409 1.0075 C.ar 1 UNK 0.0528 4 N1 18.0438 -6.0725 0.3225 N.ar 1 UNK -0.1977 5 C2 16.9341 -4.0499 0.8726 C.ar 1 UNK 0.0991 6 C3 16.8916 -5.3929 0.4876 C.ar 1 UNK 0.1465 7 N2 20.4023 -6.1446 0.3156 N.pl3 1 UNK -0.2806 8 N3 15.7177 -6.0311 0.2822 N.pl3 1 UNK -0.2967 9 C4 14.7678 -5.5468 -0.5498 C.ar 1 UNK 0.0575 10 C5 13.4352 -5.9302 -0.3729 C.ar 1 UNK 0.1095 11 C6 15.1079 -4.6706 -1.5855 C.ar 1 UNK -0.0386 12 C7 12.4576 -5.4655 -1.2569 C.ar 1 UNK -0.0350 13 C8 14.1244 -4.1833 -2.4492 C.ar 1 UNK -0.0599 14 C9 12.7971 -4.5877 -2.2890 C.ar 1 UNK -0.0598 15 Cl 15.4722 -3.1390 1.1915 Cl 1 UNK -0.0784 16 C10 20.4866 -7.4932 0.2303 C.ar 1 UNK 0.0760 17 C11 19.4330 -8.3172 0.6390 C.ar 1 UNK -0.0337 18 C12 21.6572 -8.0699 -0.2711 C.ar 1 UNK 0.1423 19 C13 19.5346 -9.7067 0.5431 C.ar 1 UNK -0.0450 20 C14 21.7569 -9.4615 -0.3705 C.ar 1 UNK -0.0144 21 C15 20.7020 -10.2827 0.0354 C.ar 1 UNK -0.0374 22 C16 20.8296 -11.7991 -0.0773 C.3 1 UNK -0.0059 23 C17 21.0297 -12.2014 -1.5521 C.3 1 UNK -0.0056 24 C18 22.0183 -12.2915 0.7721 C.3 1 UNK -0.0056 25 C19 21.2334 -13.7268 -1.6412 C.3 1 UNK -0.0331 26 C20 22.1817 -13.8131 0.5868 C.3 1 UNK -0.0331 27 N4 22.4015 -14.1202 -0.8361 N.4 1 UNK 0.2270 28 O 22.7126 -7.2469 -0.6714 O.3 1 UNK -0.4875 29 C21 23.9585 -7.9083 -0.9330 C.3 1 UNK 0.0947 30 C22 18.3672 -10.5785 0.9950 C.3 1 UNK -0.0394 31 C23 24.5422 -8.4921 0.3688 C.3 1 UNK -0.0281 32 C24 24.9562 -6.8910 -1.5165 C.3 1 UNK -0.0281 33 S 13.0099 -7.0444 0.9440 S.O2 1 UNK 0.0010 34 C25 11.2776 -6.6579 1.2691 C.3 1 UNK 0.0764 35 O1 13.0906 -8.4010 0.4395 O.2 1 UNK -0.1690 36 O2 13.7767 -6.6777 2.1191 O.2 1 UNK -0.1690 37 C26 10.3807 -7.0546 0.0811 C.3 1 UNK -0.0427 38 C27 11.1107 -5.1598 1.5867 C.3 1 UNK -0.0427 39 H 18.2470 -2.4432 1.2633 H 1 UNK 0.0847 40 H1 21.2357 -5.6241 0.2543 H 1 UNK 0.1551 41 H2 15.5484 -6.8780 0.7548 H 1 UNK 0.1537 42 H3 16.0908 -4.3826 -1.7122 H 1 UNK 0.0637 43 H4 11.4786 -5.7728 -1.1464 H 1 UNK 0.0637 44 H5 14.3777 -3.5263 -3.2036 H 1 UNK 0.0618 45 H6 12.0689 -4.2388 -2.9317 H 1 UNK 0.0618 46 H7 18.5707 -7.8936 1.0157 H 1 UNK 0.0640 47 H8 22.6186 -9.8861 -0.7476 H 1 UNK 0.0658 48 H9 19.9319 -12.2533 0.2872 H 1 UNK 0.0353 49 H10 21.8908 -11.7023 -1.9450 H 1 UNK 0.0323 50 H11 20.1673 -11.9213 -2.1201 H 1 UNK 0.0323 51 H12 21.8344 -12.0748 1.8037 H 1 UNK 0.0323 52 H13 22.9126 -11.7944 0.4591 H 1 UNK 0.0323 53 H14 21.3951 -14.0049 -2.6617 H 1 UNK 0.0814 54 H15 20.3623 -14.2227 -1.2669 H 1 UNK 0.0814 55 H16 21.2961 -14.3095 0.9249 H 1 UNK 0.0814 56 H17 23.0229 -14.1505 1.1556 H 1 UNK 0.0814 57 H18 23.2217 -13.6111 -1.1655 H 1 UNK 0.2013 58 H19 22.5444 -15.1252 -0.9358 H 1 UNK 0.2013 59 H20 23.7890 -8.7046 -1.6273 H 1 UNK 0.0727 60 H21 17.5729 -9.9553 1.3494 H 1 UNK 0.0278 61 H22 18.6902 -11.2269 1.7825 H 1 UNK 0.0278 62 H23 18.0197 -11.1648 0.1701 H 1 UNK 0.0278 63 H24 24.7145 -7.7012 1.0686 H 1 UNK 0.0265 64 H25 25.4666 -8.9867 0.1548 H 1 UNK 0.0265 65 H26 23.8507 -9.1936 0.7866 H 1 UNK 0.0265 66 H27 25.1148 -6.1022 -0.8112 H 1 UNK 0.0265 67 H28 24.5611 -6.4841 -2.4238 H 1 UNK 0.0265 68 H29 25.8860 -7.3798 -1.7200 H 1 UNK 0.0265 69 H30 10.9700 -7.2295 2.1197 H 1 UNK 0.0534 70 H31 10.6681 -6.4958 -0.7850 H 1 UNK 0.0248 71 H32 9.3592 -6.8431 0.3192 H 1 UNK 0.0248 72 H33 10.4919 -8.1004 -0.1161 H 1 UNK 0.0248 73 H34 11.4162 -4.5797 0.7410 H 1 UNK 0.0248 74 H35 11.7158 -4.9047 2.4315 H 1 UNK 0.0248 75 H36 10.0842 -4.9543 1.8081 H 1 UNK 0.0248 @BOND 1 2 1 ar 2 2 7 1 3 1 3 ar 4 2 4 ar 5 3 5 ar 6 5 15 1 7 4 6 ar 8 6 5 ar 9 6 8 1 10 7 16 1 11 8 9 1 12 9 10 ar 13 10 33 1 14 9 11 ar 15 10 12 ar 16 11 13 ar 17 12 14 ar 18 14 13 ar 19 16 17 ar 20 16 18 ar 21 18 28 1 22 17 19 ar 23 19 30 1 24 18 20 ar 25 19 21 ar 26 21 20 ar 27 21 22 1 28 22 23 1 29 22 24 1 30 23 25 1 31 24 26 1 32 25 27 1 33 27 26 1 34 28 29 1 35 29 31 1 36 29 32 1 37 33 34 1 38 33 35 2 39 33 36 2 40 34 37 1 41 34 38 1 42 3 39 1 43 7 40 1 44 8 41 1 45 11 42 1 46 12 43 1 47 13 44 1 48 14 45 1 49 17 46 1 50 20 47 1 51 22 48 1 52 23 49 1 53 23 50 1 54 24 51 1 55 24 52 1 56 25 53 1 57 25 54 1 58 26 55 1 59 26 56 1 60 27 57 1 61 27 58 1 62 29 59 1 63 30 60 1 64 30 61 1 65 30 62 1 66 31 63 1 67 31 64 1 68 31 65 1 69 32 66 1 70 32 67 1 71 32 68 1 72 34 69 1 73 37 70 1 74 37 71 1 75 37 72 1 76 38 73 1 77 38 74 1 78 38 75 1