@MOLECULE FDBD00506 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0116 -0.6918 0.1272 O.3 1 UNK -0.4603 2 O1 -3.7722 0.4901 0.7406 O.3 1 UNK -0.4612 3 O2 -5.2075 -2.4480 -0.1853 O.3 1 UNK -0.3911 4 O3 2.5663 -2.2230 1.7515 O.2 1 UNK -0.2502 5 O4 -5.3034 0.7153 2.3740 O.2 1 UNK -0.2507 6 C 1.3664 1.6344 0.4870 C.3 1 UNK 0.0243 7 C1 0.1863 1.4685 -0.5162 C.3 1 UNK -0.0247 8 C2 1.8174 0.3016 1.1289 C.3 1 UNK 0.1106 9 C3 -0.2405 2.8400 -1.1166 C.3 1 UNK -0.0219 10 C4 2.5322 2.3703 -0.1671 C.2 1 UNK -0.0444 11 C5 -1.0071 0.7189 0.0867 C.3 1 UNK -0.0457 12 C6 3.0964 0.4859 1.9506 C.3 1 UNK -0.0090 13 C7 4.2636 1.0766 1.1408 C.3 1 UNK -0.0218 14 C8 3.8158 2.1060 0.1371 C.2 1 UNK -0.0775 15 C9 -2.0881 0.4805 -0.9590 C.3 1 UNK -0.0153 16 C10 0.9604 3.6279 -1.5722 C.2 1 UNK -0.0806 17 C11 2.2082 3.3923 -1.1462 C.2 1 UNK -0.0621 18 C12 -1.0824 3.7111 -0.1787 C.3 1 UNK -0.0587 19 C13 -3.2635 -0.2860 -0.3662 C.3 1 UNK 0.1054 20 C14 5.0896 -0.0072 0.4428 C.3 1 UNK -0.0588 21 C15 -4.3284 -0.5594 -1.4180 C.3 1 UNK 0.0109 22 C16 2.3902 -1.9297 0.5749 C.2 1 UNK 0.3130 23 C17 -5.5410 -1.1849 -0.7542 C.3 1 UNK 0.0686 24 C18 2.5721 -2.9027 -0.5974 C.3 1 UNK 0.0619 25 C19 -6.0653 -0.2746 0.3393 C.3 1 UNK 0.0710 26 C20 -5.0130 0.3108 1.2497 C.2 1 UNK 0.3098 27 C21 1.2515 -3.0654 -1.3898 C.3 1 UNK -0.0406 28 C22 3.0609 -4.2618 -0.0654 C.3 1 UNK -0.0497 29 C23 3.6579 -2.3355 -1.5301 C.3 1 UNK -0.0497 30 C24 0.0657 -3.5601 -0.5686 C.3 1 UNK -0.0643 31 H -4.8710 -3.0364 -0.8792 H 1 UNK 0.2098 32 H1 1.0000 2.2319 1.2955 H 1 UNK 0.0388 33 H2 0.5485 0.8568 -1.3159 H 1 UNK 0.0313 34 H3 1.0427 -0.0226 1.7919 H 1 UNK 0.0740 35 H4 -0.8645 2.5882 -1.9486 H 1 UNK 0.0343 36 H5 -1.4166 1.2993 0.8869 H 1 UNK 0.0269 37 H6 -0.6667 -0.2295 0.4467 H 1 UNK 0.0269 38 H7 3.3959 -0.4685 2.3304 H 1 UNK 0.0307 39 H8 2.8717 1.1803 2.7330 H 1 UNK 0.0307 40 H9 4.8859 1.5684 1.8590 H 1 UNK 0.0342 41 H10 4.5455 2.6473 -0.3523 H 1 UNK 0.0578 42 H11 -1.6739 -0.0850 -1.7674 H 1 UNK 0.0301 43 H12 -2.4408 1.4291 -1.3062 H 1 UNK 0.0301 44 H13 0.8132 4.3917 -2.2504 H 1 UNK 0.0575 45 H14 2.9756 3.9642 -1.5321 H 1 UNK 0.0617 46 H15 -0.4963 3.9885 0.6724 H 1 UNK 0.0235 47 H16 -1.9415 3.1608 0.1439 H 1 UNK 0.0235 48 H17 -1.3975 4.5924 -0.6974 H 1 UNK 0.0235 49 H18 -2.9503 -1.2471 -0.0155 H 1 UNK 0.0734 50 H19 4.4810 -0.5095 -0.2798 H 1 UNK 0.0235 51 H20 5.4379 -0.7127 1.1680 H 1 UNK 0.0235 52 H21 5.9272 0.4431 -0.0476 H 1 UNK 0.0235 53 H22 -3.9388 -1.2302 -2.1550 H 1 UNK 0.0326 54 H23 -4.6115 0.3591 -1.8882 H 1 UNK 0.0326 55 H24 -6.2938 -1.3230 -1.5020 H 1 UNK 0.0600 56 H25 -6.7465 -0.8390 0.9412 H 1 UNK 0.0403 57 H26 -6.5209 0.5554 -0.1592 H 1 UNK 0.0403 58 H27 1.4228 -3.7652 -2.1809 H 1 UNK 0.0273 59 H28 0.9884 -2.0883 -1.7376 H 1 UNK 0.0273 60 H29 2.3210 -4.6765 0.5868 H 1 UNK 0.0240 61 H30 3.9754 -4.1260 0.4733 H 1 UNK 0.0240 62 H31 3.2261 -4.9277 -0.8865 H 1 UNK 0.0240 63 H32 3.3398 -1.3884 -1.9132 H 1 UNK 0.0240 64 H33 3.8196 -3.0128 -2.3425 H 1 UNK 0.0240 65 H34 4.5688 -2.2111 -0.9827 H 1 UNK 0.0240 66 H35 0.2756 -4.5399 -0.1934 H 1 UNK 0.0230 67 H36 -0.8069 -3.5943 -1.1869 H 1 UNK 0.0230 68 H37 -0.1037 -2.8932 0.2508 H 1 UNK 0.0230 @BOND 1 1 8 1 2 1 22 1 3 2 19 1 4 2 26 1 5 3 23 1 6 4 22 2 7 5 26 2 8 6 7 1 9 6 8 1 10 6 10 1 11 7 9 1 12 7 11 1 13 8 12 1 14 9 16 1 15 9 18 1 16 10 14 2 17 10 17 1 18 11 15 1 19 12 13 1 20 13 14 1 21 13 20 1 22 15 19 1 23 16 17 2 24 19 21 1 25 21 23 1 26 22 24 1 27 23 25 1 28 24 27 1 29 24 28 1 30 24 29 1 31 25 26 1 32 27 30 1 33 3 31 1 34 6 32 1 35 7 33 1 36 8 34 1 37 9 35 1 38 11 36 1 39 11 37 1 40 12 38 1 41 12 39 1 42 13 40 1 43 14 41 1 44 15 42 1 45 15 43 1 46 16 44 1 47 17 45 1 48 18 46 1 49 18 47 1 50 18 48 1 51 19 49 1 52 20 50 1 53 20 51 1 54 20 52 1 55 21 53 1 56 21 54 1 57 23 55 1 58 25 56 1 59 25 57 1 60 27 58 1 61 27 59 1 62 28 60 1 63 28 61 1 64 28 62 1 65 29 63 1 66 29 64 1 67 29 65 1 68 30 66 1 69 30 67 1 70 30 68 1