@MOLECULE virescenoside p 74 77 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.8568 1.4842 0.6621 C.3 1 UNL1 -0.1252 2 C -1.6026 1.1815 -0.6753 C.3 1 UNL1 0.0479 3 C 0.2562 2.5650 0.6242 C.3 1 UNL1 0.0332 4 C -0.2769 3.8058 -0.1416 C.3 1 UNL1 0.1371 5 C -4.9360 -1.6178 0.0475 C.3 1 UNL1 0.0760 6 C 3.2134 0.4547 0.3861 C.3 1 UNL1 0.2609 7 C 3.7681 -0.3703 1.5686 C.3 1 UNL1 0.0544 8 C 4.7511 -1.4264 1.0102 C.3 1 UNL1 0.0468 9 C 3.4934 -1.3082 -1.1798 C.3 1 UNL1 0.0313 10 C 4.0957 -2.2509 -0.1168 C.3 1 UNL1 0.0787 11 C 1.5697 2.1062 -0.0336 C.3 1 UNL1 -0.0498 12 C 2.6313 -2.0659 -2.1952 C.3 1 UNL1 -0.0203 13 C -0.7910 0.3526 -1.6835 C.3 1 UNL1 -0.4544 14 C 0.5688 3.0158 2.0618 C.3 1 UNL1 -0.4552 15 C -4.5003 -2.4883 -1.1426 C.3 1 UNL1 -0.4532 16 H 0.6144 5.4503 -0.8156 H 1 UNL1 0.3159 17 H 1.9846 -1.2272 1.7196 H 1 UNL1 0.3404 18 H 6.5532 -0.5821 1.0118 H 1 UNL1 0.3297 19 H 5.8450 -2.5731 -0.9682 H 1 UNL1 0.3313 20 H 2.0556 -0.4283 -3.1320 H 1 UNL1 0.3148 21 O -1.1457 -1.9606 1.8285 O.2 1 UNL1 -0.4783 22 C -0.3319 0.1720 1.2472 C.3 1 UNL1 -0.4005 23 C -2.0273 2.5075 -1.3386 C.3 1 UNL1 -0.2803 24 C -0.8424 3.4545 -1.5192 C.3 1 UNL1 -0.3328 25 C -4.0866 0.5339 -1.0377 C.3 1 UNL1 -0.2862 26 C -3.7956 -1.5194 1.0856 C.3 1 UNL1 -0.2809 27 C -5.2864 -0.1909 -0.4121 C.3 1 UNL1 -0.2826 28 O 0.8428 4.6657 -0.2866 O.3 1 UNL1 -0.5758 29 O 2.7762 -1.0529 2.2835 O.3 1 UNL1 -0.5261 30 O 5.8185 -0.7320 0.3863 O.3 1 UNL1 -0.5771 31 O 5.0441 -3.0908 -0.7192 O.3 1 UNL1 -0.5352 32 O 2.4699 -1.2854 -3.3601 O.3 1 UNL1 -0.5396 33 O 2.1947 1.2416 0.9210 O.3 1 UNL1 -0.3950 34 C -1.3836 -0.8997 1.2966 C.2 1 UNL1 0.4768 35 C -6.1108 -2.3061 0.6982 C.2 1 UNL1 -0.1332 36 O 2.5816 -0.4259 -0.5445 O.3 1 UNL1 -0.4930 37 C -2.8086 0.3282 -0.2927 C.2 1 UNL1 0.0345 38 C -2.6840 -0.6313 0.6407 C.2 1 UNL1 -0.1736 39 C -7.3931 -2.0031 0.5034 C.2 1 UNL1 -0.3404 40 H -1.6444 1.8835 1.3596 H 1 UNL1 0.1479 41 H -5.8252 -3.1296 1.3570 H 1 UNL1 0.1451 42 H -8.2024 -2.5352 0.9795 H 1 UNL1 0.1443 43 H -7.7464 -1.2141 -0.1388 H 1 UNL1 0.1418 44 H 0.5294 -0.2064 0.6463 H 1 UNL1 0.2003 45 H 0.0969 0.3324 2.2601 H 1 UNL1 0.1887 46 H -1.0343 4.3430 0.4734 H 1 UNL1 0.1194 47 H -2.4908 2.3062 -2.3236 H 1 UNL1 0.1442 48 H -2.8060 3.0030 -0.7256 H 1 UNL1 0.1410 49 H 1.3962 1.5760 -0.9838 H 1 UNL1 0.1329 50 H 2.2595 2.9559 -0.2007 H 1 UNL1 0.1461 51 H -1.1588 4.3688 -2.0530 H 1 UNL1 0.1369 52 H -0.0598 2.9992 -2.1544 H 1 UNL1 0.1565 53 H -3.9441 0.1848 -2.0848 H 1 UNL1 0.1555 54 H -4.3406 1.6113 -1.1138 H 1 UNL1 0.1479 55 H -0.5684 -0.6520 -1.3027 H 1 UNL1 0.1583 56 H -1.3412 0.2254 -2.6227 H 1 UNL1 0.1476 57 H 0.1663 0.8265 -1.9215 H 1 UNL1 0.1501 58 H -4.1985 -1.1419 2.0504 H 1 UNL1 0.1541 59 H -3.4035 -2.5371 1.3122 H 1 UNL1 0.1734 60 H 1.0500 2.2168 2.6419 H 1 UNL1 0.1665 61 H 1.2655 3.8652 2.0548 H 1 UNL1 0.1620 62 H -0.3292 3.3254 2.6031 H 1 UNL1 0.1400 63 H -6.1171 -0.2183 -1.1410 H 1 UNL1 0.1385 64 H -5.6575 0.3848 0.4575 H 1 UNL1 0.1449 65 H 3.9831 1.0576 -0.1377 H 1 UNL1 0.1290 66 H -4.3214 -3.5248 -0.8351 H 1 UNL1 0.1494 67 H -5.2636 -2.5012 -1.9266 H 1 UNL1 0.1442 68 H -3.5676 -2.1162 -1.5815 H 1 UNL1 0.1533 69 H 4.2469 0.2870 2.3274 H 1 UNL1 0.1570 70 H 5.1335 -2.0877 1.8149 H 1 UNL1 0.1457 71 H 4.2879 -0.7188 -1.6915 H 1 UNL1 0.1509 72 H 3.3390 -2.9571 0.2966 H 1 UNL1 0.1668 73 H 3.1434 -2.9795 -2.5583 H 1 UNL1 0.1632 74 H 1.6369 -2.3234 -1.7866 H 1 UNL1 0.1355 @BOND 1 32 20 1 2 32 12 1 3 56 13 1 4 73 12 1 5 47 23 1 6 12 74 1 7 12 9 1 8 52 24 1 9 53 25 1 10 51 24 1 11 67 15 1 12 57 13 1 13 71 9 1 14 13 55 1 15 13 2 1 16 68 15 1 17 24 23 1 18 24 4 1 19 23 48 1 20 23 2 1 21 9 36 1 22 9 10 1 23 15 66 1 24 15 5 1 25 63 27 1 26 54 25 1 27 25 27 1 28 25 37 1 29 49 11 1 30 19 31 1 31 16 28 1 32 31 10 1 33 2 37 1 34 2 1 1 35 36 6 1 36 27 5 1 37 27 64 1 38 37 38 2 39 28 4 1 40 50 11 1 41 4 46 1 42 4 3 1 43 43 39 1 44 65 6 1 45 10 72 1 46 10 8 1 47 11 3 1 48 11 33 1 49 5 35 1 50 5 26 1 51 6 33 1 52 6 7 1 53 30 8 1 54 30 18 1 55 39 35 2 56 39 42 1 57 3 1 1 58 3 14 1 59 38 26 1 60 38 34 1 61 44 22 1 62 1 22 1 63 1 40 1 64 35 41 1 65 8 7 1 66 8 70 1 67 26 59 1 68 26 58 1 69 22 34 1 70 22 45 1 71 34 21 2 72 7 29 1 73 7 69 1 74 17 29 1 75 61 14 1 76 14 62 1 77 14 60 1