@MOLECULE amino (2R)-7-[bis(2-chloroethyl)amino]tetralin-2-carboxylate 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 2.1022 4.1701 -0.3092 Cl 1 UNL111 -0.1771 2 CL 5.3820 -2.3291 0.0337 Cl 1 UNL111 -0.1526 3 O -5.5876 0.1832 0.0687 O.3 1 UNL111 -0.3151 4 O -3.6638 0.4753 1.2708 O.2 1 UNL111 -0.4061 5 N 2.3688 0.2976 0.5233 N.pl3 1 UNL111 -0.4355 6 N -6.2905 0.2604 1.2965 N.4 1 UNL111 -0.3754 7 C -3.6212 -0.0662 -1.1233 C.3 1 UNL111 -0.1805 8 C -3.5707 -1.5832 -1.3453 C.3 1 UNL111 -0.2600 9 C -2.2201 0.5491 -1.2252 C.3 1 UNL111 -0.2782 10 C -2.6788 -2.2603 -0.2999 C.3 1 UNL111 -0.2685 11 C -1.1448 -0.2663 -0.5695 C.ar 1 UNL111 0.0790 12 C -1.3480 -1.5893 -0.1722 C.ar 1 UNL111 -0.0648 13 C 0.0983 0.3407 -0.3847 C.ar 1 UNL111 -0.3059 14 C 1.1582 -0.3603 0.2124 C.ar 1 UNL111 0.2234 15 C -0.2893 -2.2915 0.4078 C.ar 1 UNL111 -0.1020 16 C -4.2108 0.2182 0.2440 C.2 1 UNL111 0.5611 17 C 0.9505 -1.6983 0.5984 C.ar 1 UNL111 -0.2752 18 C 2.6697 1.5535 -0.1882 C.3 1 UNL111 -0.1071 19 C 3.5548 -0.5247 0.7899 C.3 1 UNL111 -0.0978 20 C 2.1516 2.6984 0.6898 C.3 1 UNL111 -0.1766 21 C 4.0465 -1.2683 -0.4557 C.3 1 UNL111 -0.2256 22 H -4.2778 0.3951 -1.9058 H 1 UNL111 0.1627 23 H -3.1816 -1.7913 -2.3619 H 1 UNL111 0.1508 24 H -4.5907 -2.0117 -1.3124 H 1 UNL111 0.1465 25 H -1.9582 0.6818 -2.2990 H 1 UNL111 0.1603 26 H -2.2299 1.5740 -0.7906 H 1 UNL111 0.1666 27 H -3.1824 -2.2437 0.6948 H 1 UNL111 0.1653 28 H -2.5575 -3.3328 -0.5534 H 1 UNL111 0.1468 29 H 0.2199 1.3746 -0.6960 H 1 UNL111 0.1643 30 H -0.4380 -3.3247 0.7237 H 1 UNL111 0.1510 31 H 1.7416 -2.2769 1.0663 H 1 UNL111 0.1609 32 H 3.7644 1.6660 -0.3568 H 1 UNL111 0.1488 33 H 2.2117 1.5788 -1.2051 H 1 UNL111 0.1542 34 H 4.3560 0.1319 1.2056 H 1 UNL111 0.1588 35 H 3.3137 -1.2390 1.6158 H 1 UNL111 0.1698 36 H 2.8087 2.9060 1.5471 H 1 UNL111 0.1596 37 H 1.1272 2.5203 1.0627 H 1 UNL111 0.1762 38 H 4.4367 -0.5953 -1.2328 H 1 UNL111 0.1557 39 H 3.2667 -1.9117 -0.8984 H 1 UNL111 0.1691 40 H -6.5305 1.2382 1.3840 H 1 UNL111 0.2348 41 H -7.1224 -0.2704 1.0788 H 1 UNL111 0.2385 @BOND 1 23 8 1 2 25 9 1 3 22 7 1 4 8 24 1 5 8 7 1 6 8 10 1 7 38 21 1 8 9 7 1 9 9 26 1 10 9 11 1 11 33 18 1 12 7 16 1 13 39 21 1 14 29 13 1 15 11 13 ar 16 11 12 ar 17 28 10 1 18 21 2 1 19 21 19 1 20 13 14 ar 21 32 18 1 22 1 20 1 23 10 12 1 24 10 27 1 25 18 5 1 26 18 20 1 27 12 15 ar 28 3 16 1 29 3 6 1 30 14 5 1 31 14 17 ar 32 16 4 2 33 15 17 ar 34 15 30 1 35 5 19 1 36 17 31 1 37 20 37 1 38 20 36 1 39 19 34 1 40 19 35 1 41 41 6 1 42 6 40 1