@MOLECULE tert-butoxycyclopropane 22 22 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3934 0.7730 -0.1153 C.3 1 UNL1111111 -0.3627 2 C -2.4522 -0.7410 -0.1349 C.3 1 UNL1111111 -0.3551 3 C -1.2158 -0.0389 0.3823 C.3 1 UNL1111111 0.0920 4 O -0.1602 -0.0897 -0.5219 O.3 1 UNL1111111 -0.4127 5 C 1.1599 0.0044 0.0124 C.3 1 UNL1111111 0.3366 6 C 1.4558 -1.2072 0.9007 C.3 1 UNL1111111 -0.5063 7 C 2.0047 -0.0262 -1.2696 C.3 1 UNL1111111 -0.4762 8 C 1.3472 1.3238 0.7645 C.3 1 UNL1111111 -0.5062 9 H -2.3005 1.3093 -1.0563 H 1 UNL1111111 0.1686 10 H -3.0050 1.3321 0.5821 H 1 UNL1111111 0.1549 11 H -3.1047 -1.2696 0.5495 H 1 UNL1111111 0.1553 12 H -2.4005 -1.2598 -1.0893 H 1 UNL1111111 0.1693 13 H -0.9416 -0.0641 1.4317 H 1 UNL1111111 0.1396 14 H 1.1345 -2.1324 0.4048 H 1 UNL1111111 0.1633 15 H 2.5261 -1.2936 1.1119 H 1 UNL1111111 0.1542 16 H 0.9332 -1.1548 1.8604 H 1 UNL1111111 0.1484 17 H 1.7469 0.8147 -1.9254 H 1 UNL1111111 0.1597 18 H 3.0725 0.0273 -1.0444 H 1 UNL1111111 0.1509 19 H 1.8154 -0.9445 -1.8393 H 1 UNL1111111 0.1601 20 H 0.8059 1.3388 1.7151 H 1 UNL1111111 0.1493 21 H 2.4038 1.5091 0.9830 H 1 UNL1111111 0.1543 22 H 0.9748 2.1647 0.1653 H 1 UNL1111111 0.1628 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 7 1 8 5 8 1 9 1 9 1 10 1 10 1 11 2 11 1 12 2 12 1 13 3 13 1 14 6 14 1 15 6 15 1 16 6 16 1 17 7 17 1 18 7 18 1 19 7 19 1 20 8 20 1 21 8 21 1 22 8 22 1