@MOLECULE 2,3-butanediol, 1-(4-(1,2-diphenyl-1-butenyl)phenoxy)- 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1484 1.3560 0.0813 O.3 1 UNL1111111111 -0.3527 2 O 5.8286 2.3457 -0.3309 O.3 1 UNL1111111111 -0.5331 3 O 6.9026 0.0752 0.8755 O.3 1 UNL1111111111 -0.5447 4 C -2.2984 0.1518 0.1113 C.2 1 UNL1111111111 -0.0746 5 C -2.6415 -1.1460 0.1409 C.2 1 UNL1111111111 -0.0029 6 C -0.9027 0.6024 0.0642 C.ar 1 UNL1111111111 -0.0654 7 C 5.3531 1.0743 -0.6902 C.3 1 UNL1111111111 0.0694 8 C -4.0664 -1.6060 0.2380 C.3 1 UNL1111111111 -0.2615 9 C -3.3091 1.2158 0.1390 C.ar 1 UNL1111111111 0.0236 10 C -1.6442 -2.2254 0.0894 C.ar 1 UNL1111111111 0.0039 11 C 5.5552 0.0666 0.4639 C.3 1 UNL1111111111 0.1329 12 C 3.8851 1.1919 -1.1298 C.3 1 UNL1111111111 -0.1015 13 C -0.1957 0.7948 1.2595 C.ar 1 UNL1111111111 -0.0829 14 C -0.2725 0.8064 -1.1630 C.ar 1 UNL1111111111 -0.0802 15 C 1.7960 1.1881 -0.0098 C.ar 1 UNL1111111111 0.2516 16 C 1.1584 1.0917 1.2353 C.ar 1 UNL1111111111 -0.2387 17 C 1.0862 1.1127 -1.2065 C.ar 1 UNL1111111111 -0.2890 18 C -4.6646 -1.7904 -1.1568 C.3 1 UNL1111111111 -0.4258 19 C 5.1620 -1.3478 0.0453 C.3 1 UNL1111111111 -0.4991 20 C -3.8266 1.7073 -1.0598 C.ar 1 UNL1111111111 -0.1616 21 C -3.7723 1.7022 1.3636 C.ar 1 UNL1111111111 -0.1635 22 C -1.1455 -2.7447 1.2868 C.ar 1 UNL1111111111 -0.1593 23 C -1.2023 -2.7328 -1.1345 C.ar 1 UNL1111111111 -0.1569 24 C -4.8326 2.6690 -1.0318 C.ar 1 UNL1111111111 -0.1400 25 C -4.7783 2.6653 1.3848 C.ar 1 UNL1111111111 -0.1393 26 C -0.2113 -3.7759 1.2598 C.ar 1 UNL1111111111 -0.1402 27 C -0.2698 -3.7677 -1.1577 C.ar 1 UNL1111111111 -0.1444 28 C -5.3122 3.1420 0.1891 C.ar 1 UNL1111111111 -0.1604 29 C 0.2218 -4.2903 0.0378 C.ar 1 UNL1111111111 -0.1588 30 H 5.9907 0.8182 -1.5702 H 1 UNL1111111111 0.1456 31 H -4.6745 -0.8751 0.8145 H 1 UNL1111111111 0.1550 32 H -4.1275 -2.5570 0.8067 H 1 UNL1111111111 0.1497 33 H 5.0210 0.3901 1.3878 H 1 UNL1111111111 0.1574 34 H 3.5513 0.2903 -1.6723 H 1 UNL1111111111 0.1378 35 H 3.7371 2.0937 -1.7494 H 1 UNL1111111111 0.1486 36 H -0.7188 0.6940 2.2125 H 1 UNL1111111111 0.1555 37 H -0.8467 0.7157 -2.0848 H 1 UNL1111111111 0.1526 38 H 1.7292 1.2225 2.1513 H 1 UNL1111111111 0.1720 39 H 1.5663 1.2860 -2.1605 H 1 UNL1111111111 0.1611 40 H -5.7025 -2.1369 -1.0973 H 1 UNL1111111111 0.1431 41 H -4.6639 -0.8463 -1.7154 H 1 UNL1111111111 0.1487 42 H -4.1018 -2.5270 -1.7371 H 1 UNL1111111111 0.1462 43 H 5.6724 -1.6682 -0.8655 H 1 UNL1111111111 0.1455 44 H 4.0808 -1.4373 -0.1122 H 1 UNL1111111111 0.1616 45 H 5.4340 -2.0628 0.8354 H 1 UNL1111111111 0.1673 46 H -3.4460 1.3346 -2.0096 H 1 UNL1111111111 0.1538 47 H -3.3497 1.3265 2.2932 H 1 UNL1111111111 0.1554 48 H -1.4836 -2.3334 2.2363 H 1 UNL1111111111 0.1554 49 H -1.5820 -2.3130 -2.0632 H 1 UNL1111111111 0.1540 50 H -5.2484 3.0481 -1.9627 H 1 UNL1111111111 0.1473 51 H -5.1480 3.0420 2.3363 H 1 UNL1111111111 0.1478 52 H 5.4092 2.6490 0.5048 H 1 UNL1111111111 0.3284 53 H 0.1804 -4.1788 2.1904 H 1 UNL1111111111 0.1490 54 H 0.0778 -4.1642 -2.1092 H 1 UNL1111111111 0.1473 55 H 7.5118 0.0335 0.1151 H 1 UNL1111111111 0.3139 56 H -6.1041 3.8869 0.2065 H 1 UNL1111111111 0.1473 57 H 0.9453 -5.1022 0.0190 H 1 UNL1111111111 0.1477 @BOND 1 1 12 1 2 1 15 1 3 2 7 1 4 2 52 1 5 3 11 1 6 3 55 1 7 4 5 2 8 4 6 1 9 4 9 1 10 5 8 1 11 5 10 1 12 6 13 ar 13 6 14 ar 14 7 11 1 15 7 12 1 16 7 30 1 17 8 18 1 18 8 31 1 19 8 32 1 20 9 20 ar 21 9 21 ar 22 10 22 ar 23 10 23 ar 24 11 19 1 25 11 33 1 26 12 34 1 27 12 35 1 28 13 16 ar 29 13 36 1 30 14 17 ar 31 14 37 1 32 15 16 ar 33 15 17 ar 34 16 38 1 35 17 39 1 36 18 40 1 37 18 41 1 38 18 42 1 39 19 43 1 40 19 44 1 41 19 45 1 42 20 24 ar 43 20 46 1 44 21 25 ar 45 21 47 1 46 22 26 ar 47 22 48 1 48 23 27 ar 49 23 49 1 50 24 28 ar 51 24 50 1 52 25 28 ar 53 25 51 1 54 26 29 ar 55 26 53 1 56 27 29 ar 57 27 54 1 58 28 56 1 59 29 57 1