@MOLECULE n-[(2e)-3-(2-furyl)-2-propenoyl]glycyl-l-leucinamide 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8049 -2.0489 -0.5373 O.2 1 UNL1111111111 -0.5243 2 O -1.2145 -1.4593 0.8728 O.2 1 UNL1111111111 -0.5355 3 O 1.2139 0.8169 -1.2293 O.2 1 UNL1111111111 -0.5327 4 O 5.6875 -0.7956 0.4321 O.2 1 UNL1111111111 -0.1687 5 N -2.6106 -0.4282 -0.5800 N.am 1 UNL1111111111 -0.5842 6 N -5.1457 -1.7273 1.6668 N.am 1 UNL1111111111 -0.6871 7 N 0.8942 -1.4143 -0.9708 N.am 1 UNL1111111111 -0.5599 8 C -3.8412 2.3839 0.4964 C.3 1 UNL1111111111 -0.0463 9 C -4.4738 1.0567 0.0346 C.3 1 UNL1111111111 -0.3142 10 C -3.6339 -0.1724 0.4312 C.3 1 UNL1111111111 0.0199 11 C -4.7761 3.5375 0.1061 C.3 1 UNL1111111111 -0.4586 12 C -2.4556 2.6133 -0.1128 C.3 1 UNL1111111111 -0.4545 13 C -4.5589 -1.4056 0.4601 C.2 1 UNL1111111111 0.5520 14 C -1.4488 -1.0946 -0.2600 C.2 1 UNL1111111111 0.5593 15 C -0.4850 -1.3091 -1.4302 C.3 1 UNL1111111111 -0.1513 16 C 1.6564 -0.2545 -0.8600 C.2 1 UNL1111111111 0.5921 17 C 3.0481 -0.4467 -0.3968 C.2 1 UNL1111111111 -0.2738 18 C 3.8785 0.6029 -0.3041 C.2 1 UNL1111111111 -0.0546 19 C 5.2389 0.4915 0.1412 C.ar 1 UNL1111111111 0.0610 20 C 6.2467 1.3973 0.3714 C.ar 1 UNL1111111111 -0.1899 21 C 7.3825 0.6454 0.8287 C.ar 1 UNL1111111111 -0.2435 22 C 6.9919 -0.6685 0.8469 C.ar 1 UNL1111111111 0.0011 23 H -3.7406 2.3630 1.6089 H 1 UNL1111111111 0.1287 24 H -4.6330 1.0793 -1.0631 H 1 UNL1111111111 0.1577 25 H -5.4938 0.9694 0.4617 H 1 UNL1111111111 0.1532 26 H -3.1371 -0.0120 1.4258 H 1 UNL1111111111 0.1793 27 H -4.8874 3.6156 -0.9806 H 1 UNL1111111111 0.1465 28 H -4.3897 4.4981 0.4607 H 1 UNL1111111111 0.1454 29 H -5.7754 3.4109 0.5343 H 1 UNL1111111111 0.1400 30 H -2.4653 2.5372 -1.2044 H 1 UNL1111111111 0.1457 31 H -1.7234 1.8835 0.2555 H 1 UNL1111111111 0.1600 32 H -2.0693 3.6068 0.1393 H 1 UNL1111111111 0.1445 33 H -2.8706 -0.2218 -1.5312 H 1 UNL1111111111 0.3202 34 H -0.7681 -2.2484 -1.9634 H 1 UNL1111111111 0.1709 35 H -0.5652 -0.4717 -2.1674 H 1 UNL1111111111 0.1869 36 H -5.7403 -2.5319 1.7278 H 1 UNL1111111111 0.3117 37 H -4.9166 -1.2761 2.5233 H 1 UNL1111111111 0.3053 38 H 1.1206 -2.2400 -0.4345 H 1 UNL1111111111 0.3182 39 H 3.3648 -1.4595 -0.1606 H 1 UNL1111111111 0.1739 40 H 3.5385 1.6198 -0.5603 H 1 UNL1111111111 0.1897 41 H 6.2213 2.4599 0.2424 H 1 UNL1111111111 0.1725 42 H 8.3319 1.0599 1.0944 H 1 UNL1111111111 0.1719 43 H 7.4518 -1.5952 1.1029 H 1 UNL1111111111 0.1717 @BOND 1 1 13 2 2 2 14 2 3 3 16 2 4 4 19 ar 5 4 22 ar 6 5 10 1 7 5 14 am 8 5 33 1 9 6 13 am 10 6 36 1 11 6 37 1 12 7 15 1 13 7 16 am 14 7 38 1 15 8 9 1 16 8 11 1 17 8 12 1 18 8 23 1 19 9 10 1 20 9 24 1 21 9 25 1 22 10 13 1 23 10 26 1 24 11 27 1 25 11 28 1 26 11 29 1 27 12 30 1 28 12 31 1 29 12 32 1 30 14 15 1 31 15 34 1 32 15 35 1 33 16 17 1 34 17 18 2 35 17 39 1 36 18 19 1 37 18 40 1 38 19 20 ar 39 20 21 ar 40 20 41 1 41 21 22 ar 42 21 42 1 43 22 43 1