@MOLECULE 4,4-bis(3,4-dimethoxyphenyl)-2,3-dimethyl-1-butanol 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4416 3.8022 -1.2073 O.3 1 UNL1111 -0.5556 2 O -3.3927 -1.2276 -1.9043 O.3 1 UNL1111 -0.2770 3 O 3.0684 -1.8530 -1.5858 O.3 1 UNL1111 -0.2772 4 O -5.2063 -0.9405 -0.1641 O.3 1 UNL1111 -0.2752 5 O 3.5501 -3.2298 0.4816 O.3 1 UNL1111 -0.2790 6 C 0.2578 2.3130 -0.0226 C.3 1 UNL1111 -0.0816 7 C -0.0475 1.1212 0.9237 C.3 1 UNL1111 -0.1357 8 C 1.7011 2.8276 0.1783 C.3 1 UNL1111 -0.1578 9 C -0.7801 3.4198 0.1925 C.3 1 UNL1111 -0.4545 10 C -1.4336 0.5849 0.6553 C.ar 1 UNL1111 0.0191 11 C 0.9294 -0.0234 0.8138 C.ar 1 UNL1111 0.0149 12 C 2.0544 3.8317 -0.9328 C.3 1 UNL1111 -0.0113 13 C 1.9349 3.4504 1.5553 C.3 1 UNL1111 -0.4467 14 C -1.7152 -0.0755 -0.5505 C.ar 1 UNL1111 -0.2624 15 C 1.5399 -0.3553 -0.4051 C.ar 1 UNL1111 -0.2761 16 C -2.4288 0.7393 1.6101 C.ar 1 UNL1111 -0.1870 17 C 1.1957 -0.7826 1.9467 C.ar 1 UNL1111 -0.1783 18 C -2.9851 -0.5749 -0.7822 C.ar 1 UNL1111 0.1614 19 C 2.4117 -1.4295 -0.4721 C.ar 1 UNL1111 0.1658 20 C -3.7183 0.2416 1.3833 C.ar 1 UNL1111 -0.2355 21 C 2.0662 -1.8774 1.8876 C.ar 1 UNL1111 -0.2283 22 C -4.0040 -0.4123 0.1966 C.ar 1 UNL1111 0.1349 23 C 2.6762 -2.2063 0.6884 C.ar 1 UNL1111 0.1359 24 C -2.3850 -1.5205 -2.8641 C.3 1 UNL1111 -0.2141 25 C 2.9451 -1.0317 -2.7403 C.3 1 UNL1111 -0.2141 26 C -6.2494 -0.8479 0.7968 C.3 1 UNL1111 -0.2151 27 C 3.7775 -4.0967 1.5843 C.3 1 UNL1111 -0.2145 28 H 0.1627 1.9521 -1.0776 H 1 UNL1111 0.1362 29 H -0.0045 1.5204 1.9729 H 1 UNL1111 0.1551 30 H 2.3996 1.9543 0.0712 H 1 UNL1111 0.1650 31 H -0.5771 4.2903 -0.4380 H 1 UNL1111 0.1398 32 H -1.7899 3.0655 -0.0557 H 1 UNL1111 0.1566 33 H -0.8070 3.7594 1.2328 H 1 UNL1111 0.1445 34 H 1.7641 4.8649 -0.6804 H 1 UNL1111 0.1133 35 H 1.6137 3.5563 -1.9088 H 1 UNL1111 0.1374 36 H 1.7479 2.7236 2.3555 H 1 UNL1111 0.1502 37 H 2.9699 3.7898 1.6693 H 1 UNL1111 0.1355 38 H 1.2828 4.3119 1.7332 H 1 UNL1111 0.1442 39 H -0.9237 -0.2019 -1.2846 H 1 UNL1111 0.1720 40 H 1.3278 0.2365 -1.2914 H 1 UNL1111 0.1680 41 H -2.2191 1.2485 2.5475 H 1 UNL1111 0.1516 42 H 0.7190 -0.5401 2.8939 H 1 UNL1111 0.1543 43 H -4.4780 0.3742 2.1475 H 1 UNL1111 0.1601 44 H 2.2506 -2.4561 2.7879 H 1 UNL1111 0.1599 45 H 3.9589 3.9638 -0.3953 H 1 UNL1111 0.3120 46 H -1.9747 -0.6020 -3.2937 H 1 UNL1111 0.1311 47 H -1.5999 -2.1512 -2.4336 H 1 UNL1111 0.1408 48 H -2.9508 -2.0791 -3.6223 H 1 UNL1111 0.1523 49 H 1.9174 -1.0374 -3.1147 H 1 UNL1111 0.1314 50 H 3.2989 -0.0137 -2.5447 H 1 UNL1111 0.1416 51 H 3.6152 -1.5356 -3.4499 H 1 UNL1111 0.1512 52 H -7.0772 -1.3548 0.2815 H 1 UNL1111 0.1536 53 H -6.5072 0.1962 0.9973 H 1 UNL1111 0.1323 54 H -5.9892 -1.3814 1.7160 H 1 UNL1111 0.1338 55 H 4.4678 -4.8351 1.1532 H 1 UNL1111 0.1536 56 H 2.8504 -4.5827 1.9031 H 1 UNL1111 0.1348 57 H 4.2572 -3.5634 2.4104 H 1 UNL1111 0.1325 @BOND 1 1 12 1 2 1 45 1 3 2 18 1 4 2 24 1 5 3 19 1 6 3 25 1 7 4 22 1 8 4 26 1 9 5 23 1 10 5 27 1 11 6 7 1 12 6 8 1 13 6 9 1 14 6 28 1 15 7 10 1 16 7 11 1 17 7 29 1 18 8 12 1 19 8 13 1 20 8 30 1 21 9 31 1 22 9 32 1 23 9 33 1 24 10 14 ar 25 10 16 ar 26 11 15 ar 27 11 17 ar 28 12 34 1 29 12 35 1 30 13 36 1 31 13 37 1 32 13 38 1 33 14 18 ar 34 14 39 1 35 15 19 ar 36 15 40 1 37 16 20 ar 38 16 41 1 39 17 21 ar 40 17 42 1 41 18 22 ar 42 19 23 ar 43 20 22 ar 44 20 43 1 45 21 23 ar 46 21 44 1 47 24 46 1 48 24 47 1 49 24 48 1 50 25 49 1 51 25 50 1 52 25 51 1 53 26 52 1 54 26 53 1 55 26 54 1 56 27 55 1 57 27 56 1 58 27 57 1