@MOLECULE FDBD00115 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0839 -0.8703 0.0288 O.3 1 UNK -0.4605 2 O1 -3.6451 0.4837 0.7835 O.3 1 UNK -0.4612 3 O2 -5.1942 -2.3787 -0.1945 O.3 1 UNK -0.3911 4 O3 2.6187 -2.4733 1.5993 O.2 1 UNK -0.2505 5 O4 -5.1382 0.7137 2.4512 O.2 1 UNK -0.2507 6 C 1.5235 1.4649 0.4638 C.3 1 UNK 0.0243 7 C1 0.3206 1.3659 -0.5209 C.3 1 UNK -0.0247 8 C2 1.9412 0.1007 1.0606 C.3 1 UNK 0.1106 9 C3 -0.0709 2.7668 -1.0756 C.3 1 UNK -0.0219 10 C4 -0.8861 0.6396 0.0838 C.3 1 UNK -0.0457 11 C5 2.7012 2.1800 -0.1919 C.2 1 UNK -0.0444 12 C6 3.2403 0.2199 1.8627 C.3 1 UNK -0.0090 13 C7 4.4117 0.7942 1.0472 C.3 1 UNK -0.0218 14 C8 3.9805 1.8653 0.0806 C.2 1 UNK -0.0775 15 C9 -1.9932 0.4660 -0.9473 C.3 1 UNK -0.0153 16 C10 1.1472 3.5272 -1.5323 C.2 1 UNK -0.0806 17 C11 2.3939 3.2389 -1.1367 C.2 1 UNK -0.0621 18 C12 -0.8662 3.6388 -0.0987 C.3 1 UNK -0.0587 19 C13 -3.1826 -0.2777 -0.3533 C.3 1 UNK 0.1054 20 C14 5.1883 -0.2964 0.3045 C.3 1 UNK -0.0588 21 C15 -4.2749 -0.4865 -1.3919 C.3 1 UNK 0.0109 22 C16 -5.4955 -1.0899 -0.7224 C.3 1 UNK 0.0686 23 C17 2.4288 -2.1296 0.4397 C.2 1 UNK 0.3102 24 C18 -5.9694 -0.1937 0.4051 C.3 1 UNK 0.0710 25 C19 2.5732 -3.0439 -0.7650 C.3 1 UNK 0.0534 26 C20 -4.8818 0.3313 1.3110 C.2 1 UNK 0.3098 27 C21 1.2470 -3.7395 -1.1042 C.3 1 UNK -0.0432 28 C22 3.6650 -4.0670 -0.4638 C.3 1 UNK -0.0523 29 C23 0.1332 -2.7504 -1.4233 C.3 1 UNK -0.0645 30 H -4.8901 -2.9583 -0.9104 H 1 UNK 0.2098 31 H1 1.1919 2.0515 1.2950 H 1 UNK 0.0388 32 H2 0.6477 0.7650 -1.3436 H 1 UNK 0.0313 33 H3 1.1682 -0.2162 1.7291 H 1 UNK 0.0740 34 H4 -0.7178 2.5587 -1.9021 H 1 UNK 0.0343 35 H5 -1.2615 1.2108 0.9071 H 1 UNK 0.0269 36 H6 -0.5712 -0.3291 0.4114 H 1 UNK 0.0269 37 H7 3.5146 -0.7541 2.2106 H 1 UNK 0.0307 38 H8 3.0531 0.8993 2.6679 H 1 UNK 0.0307 39 H9 5.0630 1.2452 1.7665 H 1 UNK 0.0342 40 H10 4.7189 2.3958 -0.4076 H 1 UNK 0.0578 41 H11 -1.6128 -0.0901 -1.7785 H 1 UNK 0.0301 42 H12 -2.3203 1.4350 -1.2618 H 1 UNK 0.0301 43 H13 1.0134 4.3141 -2.1865 H 1 UNK 0.0575 44 H14 3.1729 3.7957 -1.5216 H 1 UNK 0.0617 45 H15 -0.2559 3.8732 0.7483 H 1 UNK 0.0235 46 H16 -1.7372 3.1083 0.2251 H 1 UNK 0.0235 47 H17 -1.1610 4.5439 -0.5873 H 1 UNK 0.0235 48 H18 -2.8954 -1.2580 -0.0347 H 1 UNK 0.0734 49 H19 4.5503 -0.7582 -0.4198 H 1 UNK 0.0235 50 H20 5.5259 -1.0328 1.0036 H 1 UNK 0.0235 51 H21 6.0315 0.1396 -0.1893 H 1 UNK 0.0235 52 H22 -3.9213 -1.1490 -2.1541 H 1 UNK 0.0326 53 H23 -4.5355 0.4535 -1.8316 H 1 UNK 0.0326 54 H24 -6.2658 -1.1822 -1.4593 H 1 UNK 0.0600 55 H25 -6.6581 -0.7520 1.0042 H 1 UNK 0.0403 56 H26 -6.4060 0.6643 -0.0619 H 1 UNK 0.0403 57 H27 2.8443 -2.4631 -1.6218 H 1 UNK 0.0410 58 H28 0.9478 -4.3345 -0.2667 H 1 UNK 0.0270 59 H29 1.4084 -4.3390 -1.9757 H 1 UNK 0.0270 60 H30 3.3869 -4.6435 0.3937 H 1 UNK 0.0238 61 H31 4.5860 -3.5587 -0.2684 H 1 UNK 0.0238 62 H32 3.7875 -4.7161 -1.3055 H 1 UNK 0.0238 63 H33 -0.0524 -2.1343 -0.5684 H 1 UNK 0.0230 64 H34 -0.7576 -3.2861 -1.6770 H 1 UNK 0.0230 65 H35 0.4273 -2.1361 -2.2486 H 1 UNK 0.0230 @BOND 1 1 8 1 2 1 23 1 3 2 19 1 4 2 26 1 5 3 22 1 6 4 23 2 7 5 26 2 8 6 7 1 9 6 8 1 10 6 11 1 11 7 9 1 12 7 10 1 13 8 12 1 14 9 16 1 15 9 18 1 16 10 15 1 17 11 14 2 18 11 17 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 22 1 26 22 24 1 27 23 25 1 28 24 26 1 29 25 27 1 30 25 28 1 31 27 29 1 32 3 30 1 33 6 31 1 34 7 32 1 35 8 33 1 36 9 34 1 37 10 35 1 38 10 36 1 39 12 37 1 40 12 38 1 41 13 39 1 42 14 40 1 43 15 41 1 44 15 42 1 45 16 43 1 46 17 44 1 47 18 45 1 48 18 46 1 49 18 47 1 50 19 48 1 51 20 49 1 52 20 50 1 53 20 51 1 54 21 52 1 55 21 53 1 56 22 54 1 57 24 55 1 58 24 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