@MOLECULE FDBD02216 52 51 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4405 1.7962 -1.1048 C.3 1 UNK -0.0639 2 C1 -1.1979 0.3067 -0.8528 C.3 1 UNK -0.0400 3 C2 -2.5189 -0.4542 -0.9824 C.3 1 UNK 0.0145 4 N -2.2865 -1.8804 -0.7410 N.am 1 UNK -0.3004 5 C3 -2.3916 -2.4202 0.6168 C.3 1 UNK 0.0145 6 C4 -3.8300 -2.8726 0.8760 C.3 1 UNK -0.0400 7 C5 -3.9397 -3.4363 2.2941 C.3 1 UNK -0.0639 8 C6 -1.9762 -2.6959 -1.7683 C.2 1 UNK 0.2301 9 O -1.8893 -2.2490 -2.8924 O.2 1 UNK -0.2742 10 C7 -1.7372 -4.1630 -1.5200 C.3 1 UNK 0.0836 11 N1 -1.4182 -4.8289 -2.7900 N.3 1 UNK -0.2264 12 C8 0.0348 -4.9435 -2.9738 C.3 1 UNK 0.0047 13 C9 0.5291 -3.7965 -3.8575 C.3 1 UNK -0.0519 14 P -2.1587 -6.3374 -2.8827 P.3 1 UNK 0.2460 15 S -3.9801 -6.1578 -2.5323 S.2 1 UNK 0.0090 16 O1 -1.9536 -6.9460 -4.3591 O.3 1 UNK -0.3199 17 C10 -2.5541 -8.1702 -4.7866 C.3 1 UNK 0.0530 18 C11 -2.1557 -8.4548 -6.2361 C.3 1 UNK -0.0411 19 O2 -1.4984 -7.3269 -1.7978 O.3 1 UNK -0.3199 20 C12 -1.2343 -6.9376 -0.4485 C.3 1 UNK 0.0530 21 C13 -0.6078 -8.1110 0.3075 C.3 1 UNK -0.0411 22 H -0.5167 2.3284 -1.0142 H 1 UNK 0.0230 23 H1 -2.1396 2.1703 -0.3863 H 1 UNK 0.0230 24 H2 -1.8349 1.9316 -2.0902 H 1 UNK 0.0230 25 H3 -0.8035 0.1713 0.1326 H 1 UNK 0.0278 26 H4 -0.4988 -0.0674 -1.5713 H 1 UNK 0.0278 27 H5 -2.9133 -0.3189 -1.9678 H 1 UNK 0.0464 28 H6 -3.2180 -0.0801 -0.2640 H 1 UNK 0.0464 29 H7 -2.1231 -1.6629 1.3234 H 1 UNK 0.0464 30 H8 -1.7309 -3.2554 0.7206 H 1 UNK 0.0464 31 H9 -4.0985 -3.6299 0.1694 H 1 UNK 0.0278 32 H10 -4.4907 -2.0374 0.7721 H 1 UNK 0.0278 33 H11 -3.2790 -4.2715 2.3980 H 1 UNK 0.0230 34 H12 -4.9457 -3.7527 2.4753 H 1 UNK 0.0230 35 H13 -3.6712 -2.6790 3.0007 H 1 UNK 0.0230 36 H14 -2.6176 -4.6015 -1.0986 H 1 UNK 0.0526 37 H15 -0.9195 -4.2811 -0.8401 H 1 UNK 0.0526 38 H16 0.2624 -5.8782 -3.4422 H 1 UNK 0.0429 39 H17 0.5198 -4.8944 -2.0213 H 1 UNK 0.0429 40 H18 0.0441 -3.8456 -4.8100 H 1 UNK 0.0242 41 H19 1.5874 -3.8800 -3.9914 H 1 UNK 0.0242 42 H20 0.3015 -2.8618 -3.3891 H 1 UNK 0.0242 43 H21 -3.6188 -8.0879 -4.7189 H 1 UNK 0.0562 44 H22 -2.2177 -8.9701 -4.1606 H 1 UNK 0.0562 45 H23 -2.4921 -7.6549 -6.8621 H 1 UNK 0.0252 46 H24 -2.6053 -9.3715 -6.5562 H 1 UNK 0.0252 47 H25 -1.0910 -8.5371 -6.3038 H 1 UNK 0.0252 48 H26 -2.1503 -6.6552 0.0270 H 1 UNK 0.0562 49 H27 -0.5587 -6.1079 -0.4424 H 1 UNK 0.0562 50 H28 -1.2834 -8.9407 0.3014 H 1 UNK 0.0252 51 H29 -0.4100 -7.8195 1.3179 H 1 UNK 0.0252 52 H30 0.3082 -8.3934 -0.1680 H 1 UNK 0.0252 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 8 am 6 5 6 1 7 6 7 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 14 1 13 12 13 1 14 14 15 2 15 14 16 1 16 14 19 1 17 16 17 1 18 17 18 1 19 19 20 1 20 20 21 1 21 1 22 1 22 1 23 1 23 1 24 1 24 2 25 1 25 2 26 1 26 3 27 1 27 3 28 1 28 5 29 1 29 5 30 1 30 6 31 1 31 6 32 1 32 7 33 1 33 7 34 1 34 7 35 1 35 10 36 1 36 10 37 1 37 12 38 1 38 12 39 1 39 13 40 1 40 13 41 1 41 13 42 1 42 17 43 1 43 17 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 20 48 1 48 20 49 1 49 21 50 1 50 21 51 1 51 21 52 1