@MOLECULE (2S)-N-isobutylpentan-2-amine 31 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5584 0.3547 -0.3417 C.3 1 UNL11111111 -0.0713 2 C -3.9237 -0.0513 0.2246 C.3 1 UNL11111111 -0.4587 3 C -2.3235 1.8557 -0.1527 C.3 1 UNL11111111 -0.4461 4 C -1.4516 -0.4608 0.3687 C.3 1 UNL11111111 -0.1221 5 N -0.1516 -0.2226 -0.2971 N.3 1 UNL11111111 -0.5712 6 C 0.9437 -1.0426 0.2607 C.3 1 UNL11111111 0.0776 7 H 0.8930 -0.9743 1.3777 H 1 UNL11111111 0.1348 8 C 0.8667 -2.5247 -0.1582 C.3 1 UNL11111111 -0.5063 9 C 2.2830 -0.4376 -0.2219 C.3 1 UNL11111111 -0.2884 10 C 2.5260 0.9276 0.4344 C.3 1 UNL11111111 -0.2444 11 C 3.8111 1.5674 -0.0888 C.3 1 UNL11111111 -0.4403 12 H -2.5360 0.1207 -1.4329 H 1 UNL11111111 0.1275 13 H -4.7294 0.5269 -0.2416 H 1 UNL11111111 0.1470 14 H -4.1352 -1.1109 0.0482 H 1 UNL11111111 0.1403 15 H -3.9795 0.1253 1.3043 H 1 UNL11111111 0.1458 16 H -1.3092 2.1313 -0.4757 H 1 UNL11111111 0.1619 17 H -3.0360 2.4503 -0.7312 H 1 UNL11111111 0.1367 18 H -2.4132 2.1494 0.8980 H 1 UNL11111111 0.1429 19 H -1.3583 -0.1290 1.4257 H 1 UNL11111111 0.1420 20 H -1.7321 -1.5352 0.3889 H 1 UNL11111111 0.1098 21 H -0.2236 -0.3359 -1.3044 H 1 UNL11111111 0.2567 22 H 0.9622 -2.6415 -1.2418 H 1 UNL11111111 0.1480 23 H 1.6672 -3.1073 0.3085 H 1 UNL11111111 0.1517 24 H -0.0837 -2.9760 0.1429 H 1 UNL11111111 0.1469 25 H 3.1111 -1.1278 0.0178 H 1 UNL11111111 0.1353 26 H 2.2786 -0.3323 -1.3220 H 1 UNL11111111 0.1398 27 H 1.6576 1.5896 0.2347 H 1 UNL11111111 0.1570 28 H 2.5722 0.8190 1.5333 H 1 UNL11111111 0.1291 29 H 4.0073 2.5234 0.4083 H 1 UNL11111111 0.1383 30 H 4.6793 0.9218 0.0808 H 1 UNL11111111 0.1381 31 H 3.7484 1.7634 -1.1650 H 1 UNL11111111 0.1413 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1