@MOLECULE DB01011 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 -0.1026 -2.0282 -0.8957 O.2 1 noname -0.2923 2 C1 -0.6848 -1.1255 -0.2565 C.2 1 noname 0.1076 3 C2 -0.0080 0.1687 -0.0837 C.2 1 noname 0.0157 4 C3 -2.0925 -1.4120 0.3241 C.3 1 noname 0.0545 5 C4 1.3993 0.0777 0.0498 C.2 1 noname 0.0373 6 C5 -0.6231 1.4558 -0.1490 C.2 1 noname 0.0001 7 C6 -2.6485 -2.7683 0.0440 C.2 1 noname -0.0142 8 C7 -2.0807 -1.1675 1.8344 C.3 1 noname -0.0484 9 C8 -3.0826 -0.3244 -0.0977 C.3 1 noname -0.0484 10 N1 2.1173 1.2464 0.1348 N.2 1 noname -0.2421 11 C9 0.1262 2.6618 -0.0473 C.2 1 noname -0.0137 12 C10 -3.9813 -3.0005 0.4721 C.2 1 noname 0.0053 13 C11 -1.9646 -3.8648 -0.5876 C.2 1 noname -0.0332 14 C12 1.5351 2.4956 0.0998 C.2 1 noname 0.0145 15 N2 -4.5365 -4.2518 0.2794 N.2 1 noname -0.2520 16 C13 -2.5437 -5.1524 -0.7830 C.2 1 noname -0.0245 17 C14 -3.8801 -5.3079 -0.3120 C.2 1 noname -0.0025 18 H1 1.9223 -0.8779 0.0866 H 1 noname 0.0846 19 H2 -1.7032 1.5199 -0.2813 H 1 noname 0.0631 20 H3 -2.0767 -2.1240 2.3572 H 1 noname 0.0244 21 H4 -1.1886 -0.6023 2.1040 H 1 noname 0.0244 22 H5 -2.9685 -0.6023 2.1179 H 1 noname 0.0244 23 H6 -3.5084 0.1434 0.7900 H 1 noname 0.0244 24 H7 -2.5642 0.4283 -0.6917 H 1 noname 0.0244 25 H8 -3.8805 -0.7700 -0.6917 H 1 noname 0.0244 26 H9 -0.3457 3.6438 -0.0797 H 1 noname 0.0638 27 H10 -4.5764 -2.2207 0.9474 H 1 noname 0.0842 28 H11 -0.9447 -3.7104 -0.9398 H 1 noname 0.0626 29 H12 2.1942 3.3592 0.1892 H 1 noname 0.0839 30 H13 -1.9993 -5.9662 -1.2621 H 1 noname 0.0638 31 H14 -4.4117 -6.2548 -0.4060 H 1 noname 0.0839 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 1 7 4 8 1 8 4 9 1 9 5 10 1 10 6 11 2 11 7 12 2 12 7 13 1 13 10 14 2 14 11 14 1 15 12 15 1 16 13 16 2 17 15 17 2 18 16 17 1 19 5 18 1 20 6 19 1 21 8 20 1 22 8 21 1 23 8 22 1 24 9 23 1 25 9 24 1 26 9 25 1 27 11 26 1 28 12 27 1 29 13 28 1 30 14 29 1 31 16 30 1 32 17 31 1 @SUBSTRUCTURE 1 noname 1