@MOLECULE phytol 61 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7293 -2.1516 -2.8254 O.3 1 UNL1111111111 -0.5480 2 C 0.3909 2.7821 0.2521 C.3 1 UNL1111111111 -0.0756 3 C -1.1384 2.6329 0.3717 C.3 1 UNL1111111111 -0.2869 4 C -3.6809 0.7984 0.4143 C.3 1 UNL1111111111 -0.0770 5 C -1.7987 1.9955 -0.8572 C.3 1 UNL1111111111 -0.2674 6 C -3.3142 1.8348 -0.6673 C.3 1 UNL1111111111 -0.2902 7 C 1.0598 1.4036 0.0875 C.3 1 UNL1111111111 -0.2878 8 C -3.3024 -0.6205 -0.0465 C.3 1 UNL1111111111 -0.2911 9 C 2.5258 1.4319 0.5367 C.3 1 UNL1111111111 -0.2722 10 C 3.1819 0.0617 0.3253 C.3 1 UNL1111111111 -0.2864 11 C 0.7704 3.7157 -0.9027 C.3 1 UNL1111111111 -0.4511 12 C -3.0995 -1.5684 1.1423 C.3 1 UNL1111111111 -0.2567 13 C -5.1818 0.8819 0.7208 C.3 1 UNL1111111111 -0.4572 14 C 4.6191 0.0204 0.8781 C.3 1 UNL1111111111 -0.0584 15 C -2.3979 -2.8656 0.7022 C.3 1 UNL1111111111 -0.2905 16 C 5.5678 0.8569 0.0121 C.3 1 UNL1111111111 -0.4545 17 C 5.1066 -1.4343 0.9290 C.3 1 UNL1111111111 -0.4568 18 C -0.9723 -2.5925 0.3235 C.2 1 UNL1111111111 0.0336 19 C -0.0155 -2.3754 1.4489 C.3 1 UNL1111111111 -0.4556 20 C -0.5990 -2.5324 -0.9604 C.2 1 UNL1111111111 -0.2435 21 C 0.7935 -2.2412 -1.4055 C.3 1 UNL1111111111 0.0057 22 H 0.7542 3.2405 1.2056 H 1 UNL1111111111 0.1261 23 H -1.5880 3.6253 0.5562 H 1 UNL1111111111 0.1344 24 H -1.3690 2.0284 1.2710 H 1 UNL1111111111 0.1354 25 H -3.1146 1.0416 1.3453 H 1 UNL1111111111 0.1306 26 H -1.3353 1.0136 -1.0741 H 1 UNL1111111111 0.1445 27 H -1.6069 2.6176 -1.7520 H 1 UNL1111111111 0.1363 28 H -3.7592 2.8131 -0.4066 H 1 UNL1111111111 0.1355 29 H -3.7759 1.5419 -1.6290 H 1 UNL1111111111 0.1377 30 H 0.5037 0.6488 0.6759 H 1 UNL1111111111 0.1371 31 H 0.9893 1.0751 -0.9662 H 1 UNL1111111111 0.1433 32 H -4.0705 -1.0207 -0.7311 H 1 UNL1111111111 0.1376 33 H -2.3683 -0.5829 -0.6450 H 1 UNL1111111111 0.1549 34 H 2.5905 1.7238 1.6011 H 1 UNL1111111111 0.1342 35 H 3.0786 2.2080 -0.0241 H 1 UNL1111111111 0.1381 36 H 2.5764 -0.7188 0.8246 H 1 UNL1111111111 0.1333 37 H 3.1893 -0.1907 -0.7507 H 1 UNL1111111111 0.1357 38 H 0.4974 3.2889 -1.8740 H 1 UNL1111111111 0.1472 39 H 0.2643 4.6825 -0.8137 H 1 UNL1111111111 0.1395 40 H 1.8484 3.9061 -0.9213 H 1 UNL1111111111 0.1386 41 H -2.5009 -1.0714 1.9290 H 1 UNL1111111111 0.1377 42 H -4.0732 -1.8079 1.6064 H 1 UNL1111111111 0.1309 43 H -5.4754 0.1299 1.4607 H 1 UNL1111111111 0.1414 44 H -5.4532 1.8634 1.1224 H 1 UNL1111111111 0.1392 45 H -5.7852 0.7127 -0.1772 H 1 UNL1111111111 0.1435 46 H 4.6196 0.4340 1.9152 H 1 UNL1111111111 0.1277 47 H -2.9563 -3.3230 -0.1390 H 1 UNL1111111111 0.1469 48 H -2.4425 -3.6130 1.5190 H 1 UNL1111111111 0.1421 49 H 5.5932 0.4947 -1.0210 H 1 UNL1111111111 0.1445 50 H 6.5919 0.8231 0.3982 H 1 UNL1111111111 0.1398 51 H 5.2624 1.9084 -0.0147 H 1 UNL1111111111 0.1430 52 H 5.0962 -1.8956 -0.0639 H 1 UNL1111111111 0.1440 53 H 4.4805 -2.0436 1.5888 H 1 UNL1111111111 0.1407 54 H 6.1331 -1.4943 1.3060 H 1 UNL1111111111 0.1412 55 H 0.3925 -1.3529 1.4322 H 1 UNL1111111111 0.1575 56 H -0.4811 -2.5138 2.4332 H 1 UNL1111111111 0.1530 57 H 0.8340 -3.0703 1.3948 H 1 UNL1111111111 0.1523 58 H -1.2999 -2.6884 -1.7822 H 1 UNL1111111111 0.1747 59 H 1.1631 -1.2725 -1.0123 H 1 UNL1111111111 0.1235 60 H 1.4969 -3.0497 -1.1280 H 1 UNL1111111111 0.1180 61 H 1.6185 -2.0017 -3.1938 H 1 UNL1111111111 0.3060 @BOND 1 1 21 1 2 1 61 1 3 2 3 1 4 2 7 1 5 2 11 1 6 2 22 1 7 3 5 1 8 3 23 1 9 3 24 1 10 4 6 1 11 4 8 1 12 4 13 1 13 4 25 1 14 5 6 1 15 5 26 1 16 5 27 1 17 6 28 1 18 6 29 1 19 7 9 1 20 7 30 1 21 7 31 1 22 8 12 1 23 8 32 1 24 8 33 1 25 9 10 1 26 9 34 1 27 9 35 1 28 10 14 1 29 10 36 1 30 10 37 1 31 11 38 1 32 11 39 1 33 11 40 1 34 12 15 1 35 12 41 1 36 12 42 1 37 13 43 1 38 13 44 1 39 13 45 1 40 14 16 1 41 14 17 1 42 14 46 1 43 15 18 1 44 15 47 1 45 15 48 1 46 16 49 1 47 16 50 1 48 16 51 1 49 17 52 1 50 17 53 1 51 17 54 1 52 18 19 1 53 18 20 2 54 19 55 1 55 19 56 1 56 19 57 1 57 20 21 1 58 20 58 1 59 21 59 1 60 21 60 1