@MOLECULE FDBD00582 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 P 0.6845 -2.9738 -0.1974 P.3 1 UNK 0.3635 2 O 0.3974 -1.0008 1.4074 O.3 1 UNK -0.3614 3 O1 4.0307 -1.2187 -0.9453 O.3 1 UNK -0.4369 4 O2 -3.0453 -2.3344 -0.9129 O.3 1 UNK -0.4369 5 O3 1.8118 -2.0398 -0.8878 O.3 1 UNK -0.2683 6 O4 -0.6818 -2.4329 -0.8760 O.3 1 UNK -0.2683 7 O5 3.6567 -0.4144 1.1782 O.2 1 UNK -0.2502 8 O6 -2.8575 -1.3781 1.1720 O.2 1 UNK -0.2502 9 O7 0.9164 -4.4497 -0.3467 O.2 1 UNK -0.2559 10 N -0.3795 1.7807 1.7486 N.ar 1 UNK -0.1620 11 N1 -2.2260 2.8990 1.1920 N.ar 1 UNK -0.2990 12 N2 0.6740 1.6033 -0.4328 N.ar 1 UNK -0.1731 13 N3 -0.6811 2.6682 -2.1608 N.ar 1 UNK -0.2186 14 N4 -2.7705 3.7320 -1.6811 N.pl3 1 UNK -0.3412 15 C 5.1023 0.8252 -0.3522 C.3 1 UNK 0.0595 16 C1 -4.6583 -0.6819 -0.3248 C.3 1 UNK 0.0595 17 C2 4.4910 1.5473 -1.5638 C.3 1 UNK -0.0499 18 C3 5.2485 1.8259 0.8019 C.3 1 UNK -0.0499 19 C4 6.4726 0.2593 -0.7478 C.3 1 UNK -0.0499 20 C5 -5.8194 -1.6363 -0.6339 C.3 1 UNK -0.0499 21 C6 -5.0728 0.2507 0.8249 C.3 1 UNK -0.0499 22 C7 -4.3184 0.1655 -1.5578 C.3 1 UNK -0.0499 23 C8 4.1829 -0.3229 0.0756 C.2 1 UNK 0.3145 24 C9 -3.4242 -1.4884 0.0915 C.2 1 UNK 0.3145 25 C10 0.5985 1.0886 2.5852 C.3 1 UNK 0.1772 26 C11 0.3203 -0.4046 2.6942 C.3 1 UNK 0.1078 27 C12 0.6014 -2.4050 1.4919 C.3 1 UNK 0.1492 28 C13 -0.3041 1.9879 0.4008 C.ar 1 UNK 0.3347 29 C14 3.1825 -2.3472 -0.6801 C.3 1 UNK 0.2023 30 C15 -1.8893 -3.1475 -0.6571 C.3 1 UNK 0.2023 31 C16 -1.4579 2.6831 0.0755 C.ar 1 UNK 0.1768 32 C17 -1.5514 2.3452 2.1779 C.ar 1 UNK 0.2477 33 C18 -1.6301 3.0250 -1.2621 C.ar 1 UNK 0.1499 34 C19 0.3961 1.9896 -1.6971 C.ar 1 UNK 0.1247 35 H -3.0914 3.3655 1.2444 H 1 UNK 0.1712 36 H1 -2.8818 3.9686 -2.6302 H 1 UNK 0.1438 37 H2 -3.4579 3.9906 -1.0254 H 1 UNK 0.1438 38 H3 5.1333 2.3492 -1.8625 H 1 UNK 0.0240 39 H4 3.5312 1.9390 -1.2987 H 1 UNK 0.0240 40 H5 4.3829 0.8563 -2.3736 H 1 UNK 0.0240 41 H6 5.8910 2.6266 0.5004 H 1 UNK 0.0240 42 H7 5.6700 1.3310 1.6518 H 1 UNK 0.0240 43 H8 4.2864 2.2178 1.0582 H 1 UNK 0.0240 44 H9 7.1163 1.0600 -1.0470 H 1 UNK 0.0240 45 H10 6.3542 -0.4260 -1.5610 H 1 UNK 0.0240 46 H11 6.9029 -0.2507 0.0887 H 1 UNK 0.0240 47 H12 -6.6793 -1.0696 -0.9242 H 1 UNK 0.0240 48 H13 -6.0495 -2.2122 0.2380 H 1 UNK 0.0240 49 H14 -5.5390 -2.2926 -1.4311 H 1 UNK 0.0240 50 H15 -5.9348 0.8140 0.5341 H 1 UNK 0.0240 51 H16 -4.2684 0.9198 1.0491 H 1 UNK 0.0240 52 H17 -5.3037 -0.3326 1.6917 H 1 UNK 0.0240 53 H18 -5.1788 0.7300 -1.8508 H 1 UNK 0.0240 54 H19 -4.0224 -0.4763 -2.3611 H 1 UNK 0.0240 55 H20 -3.5169 0.8338 -1.3214 H 1 UNK 0.0240 56 H21 0.5734 1.5148 3.5663 H 1 UNK 0.1056 57 H22 1.5589 1.2078 2.1288 H 1 UNK 0.1056 58 H23 1.0454 -0.8554 3.3391 H 1 UNK 0.0623 59 H24 -0.6601 -0.5541 3.0960 H 1 UNK 0.0623 60 H25 1.5154 -2.6204 2.0049 H 1 UNK 0.0687 61 H26 -0.1820 -2.8890 2.0368 H 1 UNK 0.0687 62 H27 3.3187 -2.6509 0.3368 H 1 UNK 0.1022 63 H28 3.4527 -3.1312 -1.3563 H 1 UNK 0.1022 64 H29 -1.9121 -3.9963 -1.3082 H 1 UNK 0.1022 65 H30 -1.9156 -3.4487 0.3693 H 1 UNK 0.1022 66 H31 -1.8687 2.3374 3.1599 H 1 UNK 0.1599 67 H32 1.1003 1.7328 -2.4065 H 1 UNK 0.1050 @BOND 1 1 5 1 2 1 6 1 3 1 9 2 4 1 27 1 5 2 26 1 6 2 27 1 7 3 23 1 8 3 29 1 9 4 24 1 10 4 30 1 11 5 29 1 12 6 30 1 13 7 23 2 14 8 24 2 15 10 25 1 16 10 28 ar 17 10 32 ar 18 11 31 ar 19 11 32 ar 20 12 28 ar 21 12 34 ar 22 13 33 ar 23 13 34 ar 24 14 33 1 25 15 17 1 26 15 18 1 27 15 19 1 28 15 23 1 29 16 20 1 30 16 21 1 31 16 22 1 32 16 24 1 33 25 26 1 34 28 31 ar 35 31 33 ar 36 11 35 1 37 14 36 1 38 14 37 1 39 17 38 1 40 17 39 1 41 17 40 1 42 18 41 1 43 18 42 1 44 18 43 1 45 19 44 1 46 19 45 1 47 19 46 1 48 20 47 1 49 20 48 1 50 20 49 1 51 21 50 1 52 21 51 1 53 21 52 1 54 22 53 1 55 22 54 1 56 22 55 1 57 25 56 1 58 25 57 1 59 26 58 1 60 26 59 1 61 27 60 1 62 27 61 1 63 29 62 1 64 29 63 1 65 30 64 1 66 30 65 1 67 32 66 1 68 34 67 1