@MOLECULE 4-nitrobenzyl n,n'-diisopropylcarbamimidate 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0667 -0.0348 0.0435 O.2 1 UNL1111111111 -0.3724 2 O 5.9410 0.7357 -0.5164 O.2 1 UNL1111111111 -0.4020 3 O 5.5324 -1.1099 0.5094 O.2 1 UNL1111111111 -0.4027 4 N -2.9462 -1.2866 0.2374 N.pl3 1 UNL1111111111 -0.5897 5 N -3.0221 1.1570 0.1922 N.2 1 UNL1111111111 -0.6204 6 N 5.1732 -0.0563 0.0071 N.pl3 1 UNL1111111111 0.6228 7 C -2.0398 -2.4376 0.0258 C.3 1 UNL1111111111 0.1357 8 C -4.4675 1.3178 0.3060 C.3 1 UNL1111111111 0.1352 9 C -2.4312 0.0130 0.1366 C.2 1 UNL1111111111 0.5447 10 C -1.6202 -2.5739 -1.4449 C.3 1 UNL1111111111 -0.4973 11 C -2.7766 -3.6991 0.4975 C.3 1 UNL1111111111 -0.4714 12 C -0.3961 1.2342 0.1102 C.3 1 UNL1111111111 -0.0417 13 C 1.0597 0.8880 0.0853 C.ar 1 UNL1111111111 0.0428 14 C -4.7115 2.7745 0.7399 C.3 1 UNL1111111111 -0.4428 15 C -5.1598 1.0445 -1.0439 C.3 1 UNL1111111111 -0.4816 16 C 1.9640 1.7764 -0.5042 C.ar 1 UNL1111111111 -0.1887 17 C 1.5086 -0.3054 0.6568 C.ar 1 UNL1111111111 -0.1650 18 C 3.3201 1.4717 -0.5308 C.ar 1 UNL1111111111 -0.0767 19 C 2.8619 -0.6231 0.6305 C.ar 1 UNL1111111111 -0.0779 20 C 3.7575 0.2709 0.0361 C.ar 1 UNL1111111111 -0.0951 21 H -1.1297 -2.2750 0.6645 H 1 UNL1111111111 0.1494 22 H -3.8777 -1.4134 -0.1489 H 1 UNL1111111111 0.2996 23 H -4.8898 0.6305 1.0867 H 1 UNL1111111111 0.1188 24 H -0.9400 -3.4217 -1.5832 H 1 UNL1111111111 0.1587 25 H -2.4782 -2.7277 -2.1060 H 1 UNL1111111111 0.1492 26 H -1.0921 -1.6750 -1.7903 H 1 UNL1111111111 0.1640 27 H -3.1265 -3.5875 1.5324 H 1 UNL1111111111 0.1613 28 H -2.1126 -4.5703 0.4651 H 1 UNL1111111111 0.1562 29 H -3.6486 -3.9263 -0.1242 H 1 UNL1111111111 0.1487 30 H -0.6878 1.7588 1.0446 H 1 UNL1111111111 0.1678 31 H -0.7248 1.8494 -0.7510 H 1 UNL1111111111 0.1615 32 H -5.7789 2.9836 0.8431 H 1 UNL1111111111 0.1393 33 H -4.2221 2.9802 1.6994 H 1 UNL1111111111 0.1528 34 H -4.2878 3.4760 0.0110 H 1 UNL1111111111 0.1571 35 H -6.2308 1.2637 -0.9851 H 1 UNL1111111111 0.1534 36 H -5.0451 0.0075 -1.3647 H 1 UNL1111111111 0.1322 37 H -4.7335 1.6800 -1.8310 H 1 UNL1111111111 0.1634 38 H 1.6090 2.7065 -0.9477 H 1 UNL1111111111 0.1676 39 H 0.7956 -0.9889 1.1223 H 1 UNL1111111111 0.1769 40 H 4.0386 2.1579 -0.9900 H 1 UNL1111111111 0.1829 41 H 3.2250 -1.5577 1.0697 H 1 UNL1111111111 0.1837 @BOND 1 1 9 1 2 1 12 1 3 2 6 2 4 3 6 2 5 4 7 1 6 4 9 1 7 4 22 1 8 5 8 1 9 5 9 2 10 6 20 1 11 7 10 1 12 7 11 1 13 7 21 1 14 8 14 1 15 8 15 1 16 8 23 1 17 10 24 1 18 10 25 1 19 10 26 1 20 11 27 1 21 11 28 1 22 11 29 1 23 12 13 1 24 12 30 1 25 12 31 1 26 13 16 ar 27 13 17 ar 28 14 32 1 29 14 33 1 30 14 34 1 31 15 35 1 32 15 36 1 33 15 37 1 34 16 18 ar 35 16 38 1 36 17 19 ar 37 17 39 1 38 18 20 ar 39 18 40 1 40 19 20 ar 41 19 41 1