@MOLECULE (+)-yingzhosu a 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9180 -0.9198 0.6542 O.3 1 UNL1111111111 -0.1541 2 O 1.1999 0.4123 1.0583 O.3 1 UNL1111111111 -0.1554 3 O -3.6766 1.4230 0.8619 O.3 1 UNL1111111111 -0.5413 4 O -3.2516 -1.2205 1.0601 O.3 1 UNL1111111111 -0.5841 5 C 1.8689 0.9685 -1.2113 C.3 1 UNL1111111111 -0.1357 6 C 1.5356 -0.4741 -1.6190 C.3 1 UNL1111111111 -0.3278 7 C 1.7781 -1.3476 -0.3828 C.3 1 UNL1111111111 0.0263 8 C 3.2682 -1.3413 0.0046 C.3 1 UNL1111111111 -0.1134 9 C 3.3712 1.0487 -0.8905 C.3 1 UNL1111111111 -0.2758 10 C 0.9640 1.3316 -0.0046 C.3 1 UNL1111111111 0.1871 11 C 3.7863 0.0894 0.2331 C.3 1 UNL1111111111 -0.2712 12 C 3.4718 -2.1815 1.2674 C.3 1 UNL1111111111 -0.4542 13 C 1.3195 2.6758 0.6425 C.3 1 UNL1111111111 -0.4673 14 C -0.4816 1.3413 -0.4204 C.2 1 UNL1111111111 -0.2260 15 C -1.4397 0.7974 0.3291 C.2 1 UNL1111111111 -0.1589 16 C -2.8774 0.7691 -0.0976 C.3 1 UNL1111111111 0.1129 17 C -3.3619 -0.7059 -0.2575 C.3 1 UNL1111111111 0.2984 18 C -2.4548 -1.5023 -1.1933 C.3 1 UNL1111111111 -0.5123 19 C -4.8239 -0.7522 -0.6962 C.3 1 UNL1111111111 -0.5070 20 H 1.6461 1.6652 -2.0496 H 1 UNL1111111111 0.1344 21 H 0.4841 -0.5558 -1.9502 H 1 UNL1111111111 0.1487 22 H 2.1557 -0.8025 -2.4684 H 1 UNL1111111111 0.1431 23 H 1.4096 -2.3898 -0.5282 H 1 UNL1111111111 0.1388 24 H 3.8437 -1.7966 -0.8372 H 1 UNL1111111111 0.1303 25 H 3.6483 2.0837 -0.6172 H 1 UNL1111111111 0.1355 26 H 3.9468 0.8173 -1.8075 H 1 UNL1111111111 0.1331 27 H 4.8882 0.0735 0.3216 H 1 UNL1111111111 0.1279 28 H 3.4143 0.4673 1.2064 H 1 UNL1111111111 0.1580 29 H 2.8320 -1.8180 2.0844 H 1 UNL1111111111 0.1640 30 H 3.2195 -3.2330 1.0981 H 1 UNL1111111111 0.1406 31 H 4.5085 -2.1395 1.6157 H 1 UNL1111111111 0.1420 32 H 1.3426 3.4761 -0.1033 H 1 UNL1111111111 0.1557 33 H 0.5782 2.9471 1.4068 H 1 UNL1111111111 0.1673 34 H 2.2972 2.6375 1.1373 H 1 UNL1111111111 0.1582 35 H -0.6826 1.8321 -1.3686 H 1 UNL1111111111 0.1463 36 H -1.2380 0.3219 1.2929 H 1 UNL1111111111 0.1814 37 H -3.0785 1.3529 -1.0233 H 1 UNL1111111111 0.1434 38 H -1.4430 -1.5877 -0.7654 H 1 UNL1111111111 0.1763 39 H -2.8276 -2.5179 -1.3548 H 1 UNL1111111111 0.1496 40 H -2.3611 -1.0216 -2.1717 H 1 UNL1111111111 0.1543 41 H -5.2276 -1.7680 -0.6665 H 1 UNL1111111111 0.1465 42 H -4.9532 -0.3692 -1.7133 H 1 UNL1111111111 0.1542 43 H -5.4434 -0.1300 -0.0320 H 1 UNL1111111111 0.1747 44 H -3.6792 0.9072 1.7007 H 1 UNL1111111111 0.3321 45 H -3.5194 -2.1548 1.1002 H 1 UNL1111111111 0.3235 @BOND 1 1 2 1 2 1 7 1 3 2 10 1 4 3 16 1 5 3 44 1 6 4 17 1 7 4 45 1 8 5 6 1 9 5 9 1 10 5 10 1 11 5 20 1 12 6 7 1 13 6 21 1 14 6 22 1 15 7 8 1 16 7 23 1 17 8 11 1 18 8 12 1 19 8 24 1 20 9 11 1 21 9 25 1 22 9 26 1 23 10 13 1 24 10 14 1 25 11 27 1 26 11 28 1 27 12 29 1 28 12 30 1 29 12 31 1 30 13 32 1 31 13 33 1 32 13 34 1 33 14 15 2 34 14 35 1 35 15 16 1 36 15 36 1 37 16 17 1 38 16 37 1 39 17 18 1 40 17 19 1 41 18 38 1 42 18 39 1 43 18 40 1 44 19 41 1 45 19 42 1 46 19 43 1