@MOLECULE FDBD02226 50 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.2132 1.6334 -0.6111 C.3 1 UNK -0.0597 2 C1 0.7688 1.2311 -0.9158 C.3 1 UNK -0.0085 3 C2 0.7631 0.0584 -1.8623 C.ar 1 UNK 0.0985 4 C3 0.7533 0.1278 -3.2587 C.ar 1 UNK 0.1437 5 C4 0.7512 -1.1885 -3.6907 C.ar 1 UNK 0.3127 6 C5 0.7418 -1.6607 -5.0831 C.2 1 UNK 0.3125 7 O -0.3149 -1.8185 -5.6648 O.2 1 UNK -0.2635 8 N 1.9039 -1.9187 -5.7151 N.am 1 UNK -0.3022 9 C6 1.8932 -2.4968 -7.0611 C.3 1 UNK 0.0373 10 C7 3.3102 -2.6854 -7.5382 C.ar 1 UNK -0.0301 11 C8 3.9484 -1.6687 -8.2244 C.ar 1 UNK -0.0536 12 C9 5.2474 -1.8388 -8.6624 C.ar 1 UNK -0.0190 13 C10 5.9118 -3.0312 -8.4132 C.ar 1 UNK 0.1285 14 C11 5.2690 -4.0499 -7.7243 C.ar 1 UNK -0.0190 15 C12 3.9718 -3.8726 -7.2839 C.ar 1 UNK -0.0536 16 O1 7.1895 -3.2012 -8.8433 O.3 1 UNK -0.4560 17 C13 7.7536 -2.2058 -9.5764 C.ar 1 UNK 0.1285 18 C14 8.2559 -1.0769 -8.9452 C.ar 1 UNK -0.0191 19 C15 8.8288 -0.0664 -9.6928 C.ar 1 UNK -0.0554 20 C16 8.9015 -0.1790 -11.0690 C.ar 1 UNK -0.0502 21 C17 9.5266 0.9251 -11.8821 C.3 1 UNK -0.0397 22 C18 8.4021 -1.3032 -11.7005 C.ar 1 UNK -0.0554 23 C19 7.8334 -2.3191 -10.9571 C.ar 1 UNK -0.0191 24 N1 0.7595 -1.9603 -2.5620 N.ar 1 UNK -0.1044 25 C20 0.7614 -3.4252 -2.5409 C.3 1 UNK 0.1648 26 N2 0.7720 -1.2052 -1.5231 N.ar 1 UNK -0.1654 27 Cl 0.7455 1.5587 -4.2417 Cl 1 UNK -0.0745 28 H 2.2173 2.4660 0.0609 H 1 UNK 0.0233 29 H1 2.7068 1.9065 -1.5203 H 1 UNK 0.0233 30 H2 2.7256 0.8091 -0.1608 H 1 UNK 0.0233 31 H3 0.2564 2.0554 -1.3661 H 1 UNK 0.0327 32 H4 0.2752 0.9581 -0.0066 H 1 UNK 0.0327 33 H5 2.7601 -1.7186 -5.2721 H 1 UNK 0.1495 34 H6 1.3770 -1.8383 -7.7280 H 1 UNK 0.0512 35 H7 1.3955 -3.4437 -7.0386 H 1 UNK 0.0512 36 H8 3.4538 -0.7820 -8.4095 H 1 UNK 0.0622 37 H9 5.7233 -1.0797 -9.1745 H 1 UNK 0.0654 38 H10 5.7596 -4.9392 -7.5411 H 1 UNK 0.0654 39 H11 3.4960 -4.6269 -6.7646 H 1 UNK 0.0622 40 H12 8.2016 -0.9922 -7.9181 H 1 UNK 0.0654 41 H13 9.2029 0.7733 -9.2238 H 1 UNK 0.0621 42 H14 9.8540 1.7072 -11.2294 H 1 UNK 0.0278 43 H15 8.8052 1.3135 -12.5703 H 1 UNK 0.0278 44 H16 10.3644 0.5386 -12.4239 H 1 UNK 0.0278 45 H17 8.4543 -1.3833 -12.7281 H 1 UNK 0.0621 46 H18 7.4682 -3.1616 -11.4281 H 1 UNK 0.0654 47 H19 0.7489 -3.7964 -3.5444 H 1 UNK 0.1016 48 H20 -0.1052 -3.7755 -2.0202 H 1 UNK 0.1016 49 H21 1.6419 -3.7736 -2.0427 H 1 UNK 0.1016 50 H22 0.7864 -1.5335 -0.5951 H 1 UNK 0.2362 @BOND 1 1 2 1 2 2 3 1 3 3 26 ar 4 3 4 ar 5 4 5 ar 6 4 27 1 7 5 6 1 8 5 24 ar 9 6 7 2 10 6 8 am 11 8 9 1 12 9 10 1 13 10 15 ar 14 10 11 ar 15 11 12 ar 16 12 13 ar 17 13 14 ar 18 13 16 1 19 14 15 ar 20 16 17 1 21 17 23 ar 22 17 18 ar 23 18 19 ar 24 19 20 ar 25 20 21 1 26 20 22 ar 27 22 23 ar 28 24 25 1 29 24 26 ar 30 1 28 1 31 1 29 1 32 1 30 1 33 2 31 1 34 2 32 1 35 8 33 1 36 9 34 1 37 9 35 1 38 11 36 1 39 12 37 1 40 14 38 1 41 15 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 21 43 1 46 21 44 1 47 22 45 1 48 23 46 1 49 25 47 1 50 25 48 1 51 25 49 1 52 26 50 1