@MOLECULE DB07027 51 53 1 SMALL USER_CHARGES @ATOM 1 F1 -1.2922 6.2126 0.3175 F 1 noname -0.1653 2 C1 -0.1604 6.8201 0.5236 C.2 1 noname 0.0249 3 C2 1.0664 6.1955 0.1529 C.2 1 noname -0.0001 4 C3 -0.1397 8.1223 1.1252 C.2 1 noname -0.0082 5 C4 2.2791 6.9081 0.4122 C.2 1 noname -0.0321 6 C5 1.0888 8.8319 1.3367 C.2 1 noname -0.0429 7 C6 2.3249 8.2233 0.9720 C.2 1 noname -0.0555 8 C7 3.5409 6.2620 0.1172 C.3 1 noname 0.0279 9 N1 3.9328 5.4914 1.2870 N.3 1 noname -0.0715 10 C8 5.3162 5.1197 1.0040 C.2 1 noname 0.0474 11 O1 6.0416 5.6422 0.1303 O.2 1 noname -0.2904 12 C9 5.7377 3.9901 1.9455 C.3 1 noname 0.0907 13 N2 6.9424 3.2735 1.5158 N.3 1 noname -0.0561 14 C10 5.9705 4.3683 3.4067 C.3 1 noname -0.0274 15 C11 7.7117 3.4462 0.4323 C.2 1 noname 0.0540 16 C12 7.0596 2.3164 2.6131 C.3 1 noname 0.0067 17 C13 6.6545 3.0866 3.9017 C.3 1 noname -0.0379 18 O2 7.2098 3.8774 -0.6282 O.2 1 noname -0.2885 19 C14 9.1360 3.1308 0.4905 C.3 1 noname 0.0832 20 N3 9.7764 3.9559 1.5136 N.3 1 noname -0.3200 21 C15 9.7773 3.4152 -0.8691 C.3 1 noname -0.0041 22 C16 11.2017 3.0998 -0.8109 C.2 1 noname -0.0541 23 C17 11.9997 3.2789 -1.9348 C.2 1 noname -0.0567 24 C18 11.7597 2.6203 0.3684 C.2 1 noname -0.0567 25 C19 13.3557 2.9786 -1.8794 C.2 1 noname -0.0604 26 C20 13.1157 2.3200 0.4239 C.2 1 noname -0.0604 27 C21 13.9137 2.4992 -0.7001 C.2 1 noname -0.0616 28 H1 1.0767 5.2095 -0.3117 H 1 noname 0.0656 29 H2 -1.0796 8.5834 1.4288 H 1 noname 0.0653 30 H3 1.0831 9.8307 1.7731 H 1 noname 0.0623 31 H4 3.2711 8.7448 1.1161 H 1 noname 0.0626 32 H5 3.3554 5.5520 -0.6888 H 1 noname 0.0483 33 H6 4.2815 7.0513 -0.0115 H 1 noname 0.0483 34 H7 3.3776 5.2680 2.1006 H 1 noname 0.1314 35 H8 4.8799 3.3220 1.8696 H 1 noname 0.0568 36 H9 6.6877 5.1882 3.4459 H 1 noname 0.0288 37 H10 5.0040 4.4655 3.9013 H 1 noname 0.0288 38 H11 6.3174 1.5401 2.4270 H 1 noname 0.0436 39 H12 8.1154 2.0552 2.6843 H 1 noname 0.0436 40 H13 7.5689 3.3816 4.4166 H 1 noname 0.0280 41 H14 5.9023 2.4946 4.4229 H 1 noname 0.0280 42 H15 9.2406 2.0852 0.7803 H 1 noname 0.0563 43 H16 10.6886 3.7045 1.8669 H 1 noname 0.1191 44 H17 9.3067 4.7772 1.8669 H 1 noname 0.1191 45 H18 9.3455 2.7197 -1.5888 H 1 noname 0.0337 46 H19 9.7151 4.4892 -1.0443 H 1 noname 0.0337 47 H20 11.5621 3.6549 -2.8596 H 1 noname 0.0625 48 H21 11.1339 2.4799 1.2498 H 1 noname 0.0625 49 H22 13.9815 3.1191 -2.7608 H 1 noname 0.0622 50 H23 13.5533 1.9441 1.3487 H 1 noname 0.0622 51 H24 14.9771 2.2637 -0.6566 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 5 8 1 8 6 7 1 9 8 9 1 10 9 10 1 11 10 11 2 12 12 10 1 13 12 13 1 14 12 14 1 15 13 15 1 16 13 16 1 17 14 17 1 18 15 18 2 19 15 19 1 20 16 17 1 21 19 20 1 22 19 21 1 23 21 22 1 24 22 23 2 25 22 24 1 26 23 25 1 27 24 26 2 28 25 27 2 29 26 27 1 30 3 28 1 31 4 29 1 32 6 30 1 33 7 31 1 34 8 32 1 35 8 33 1 36 9 34 1 37 12 35 1 38 14 36 1 39 14 37 1 40 16 38 1 41 16 39 1 42 17 40 1 43 17 41 1 44 19 42 1 45 20 43 1 46 20 44 1 47 21 45 1 48 21 46 1 49 23 47 1 50 24 48 1 51 25 49 1 52 26 50 1 53 27 51 1 @SUBSTRUCTURE 1 noname 1