@MOLECULE n-acetyl-l-leucyl-l-prolinamide 42 42 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3748 -1.0364 1.4277 O.2 1 UNL1111111111 -0.2463 2 O 2.9600 1.1606 1.4099 O.2 1 UNL1111111111 -0.3612 3 O -2.0079 -1.9928 -1.3995 O.2 1 UNL1111111111 -0.4465 4 N 1.2443 -0.0842 -0.4017 N.am 1 UNL1111111111 -0.0906 5 N -2.1793 -0.8540 0.5396 N.am 1 UNL1111111111 -0.6725 6 N 4.5228 -0.4510 1.3201 N.am 1 UNL1111111111 -1.0007 7 C 2.5738 -0.6575 -0.1792 C.3 1 UNL1111111111 -0.0300 8 C 3.3253 -0.4724 -1.5191 C.3 1 UNL1111111111 -0.4209 9 C 1.2151 0.7827 -1.5889 C.3 1 UNL1111111111 -0.3846 10 C 2.6439 0.7386 -2.1796 C.3 1 UNL1111111111 -0.3693 11 C -1.2277 0.1622 0.0827 C.3 1 UNL1111111111 0.4977 12 C 0.1909 -0.3525 0.4381 C.2 1 UNL1111111111 -0.1176 13 C -1.4494 1.5039 0.8083 C.3 1 UNL1111111111 -0.9354 14 C -2.7124 2.2900 0.3933 C.3 1 UNL1111111111 0.3650 15 C 3.3203 0.1153 0.9216 C.2 1 UNL1111111111 0.4663 16 C -3.9976 1.5784 0.8303 C.3 1 UNL1111111111 -0.9423 17 C -2.7485 2.5827 -1.1099 C.3 1 UNL1111111111 -0.9090 18 C -2.4840 -1.9287 -0.2842 C.2 1 UNL1111111111 0.5742 19 C -3.4565 -2.9419 0.2545 C.3 1 UNL1111111111 -0.9449 20 H 2.4666 -1.7371 0.1079 H 1 UNL1111111111 0.2093 21 H 3.2299 -1.3767 -2.1473 H 1 UNL1111111111 0.2079 22 H 4.4055 -0.3070 -1.3804 H 1 UNL1111111111 0.2029 23 H 0.9282 1.8144 -1.3045 H 1 UNL1111111111 0.2093 24 H 0.4653 0.3989 -2.3162 H 1 UNL1111111111 0.2470 25 H 3.1920 1.6689 -1.9405 H 1 UNL1111111111 0.1987 26 H 2.6273 0.6535 -3.2766 H 1 UNL1111111111 0.1767 27 H -1.3408 0.2823 -1.0290 H 1 UNL1111111111 0.1001 28 H -0.5574 2.1468 0.6478 H 1 UNL1111111111 0.3065 29 H -1.4755 1.3307 1.9042 H 1 UNL1111111111 0.3133 30 H -2.6764 3.2743 0.9310 H 1 UNL1111111111 0.1051 31 H -2.3682 -0.8741 1.5276 H 1 UNL1111111111 0.4141 32 H -4.1669 0.6594 0.2529 H 1 UNL1111111111 0.2894 33 H -3.9637 1.3070 1.8906 H 1 UNL1111111111 0.2629 34 H -4.8746 2.2179 0.6816 H 1 UNL1111111111 0.2418 35 H -1.8284 3.0697 -1.4496 H 1 UNL1111111111 0.2255 36 H -3.5844 3.2487 -1.3575 H 1 UNL1111111111 0.2400 37 H -2.8835 1.6680 -1.6994 H 1 UNL1111111111 0.2668 38 H 5.0600 -0.0077 2.0375 H 1 UNL1111111111 0.4299 39 H 4.8471 -1.3340 1.0007 H 1 UNL1111111111 0.4417 40 H -3.8209 -3.5892 -0.5633 H 1 UNL1111111111 0.2814 41 H -2.9813 -3.5954 1.0006 H 1 UNL1111111111 0.3135 42 H -4.3364 -2.4788 0.7154 H 1 UNL1111111111 0.2847 @BOND 1 1 12 2 2 2 15 2 3 3 18 2 4 4 7 1 5 4 9 1 6 4 12 am 7 5 11 1 8 5 18 am 9 5 31 1 10 6 15 am 11 6 38 1 12 6 39 1 13 7 8 1 14 7 15 1 15 7 20 1 16 8 10 1 17 8 21 1 18 8 22 1 19 9 10 1 20 9 23 1 21 9 24 1 22 10 25 1 23 10 26 1 24 11 12 1 25 11 13 1 26 11 27 1 27 13 14 1 28 13 28 1 29 13 29 1 30 14 16 1 31 14 17 1 32 14 30 1 33 16 32 1 34 16 33 1 35 16 34 1 36 17 35 1 37 17 36 1 38 17 37 1 39 18 19 1 40 19 40 1 41 19 41 1 42 19 42 1