@MOLECULE **** 39 40 1 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1424 -0.1912 -3.5915 C.3 1 **** 0.0000 2 O -0.7597 0.1964 -2.3939 O.3 1 **** 0.0000 3 C -0.0191 -0.1854 -1.3254 C.ar 1 **** 0.0000 4 C -0.4577 0.1047 -0.0334 C.ar 1 **** 0.0000 5 C 0.3048 -0.2882 1.0665 C.ar 1 **** 0.0000 6 C 1.5057 -0.9711 0.8745 C.ar 1 **** 0.0000 7 C 1.9442 -1.2612 -0.4174 C.ar 1 **** 0.0000 8 C 1.1818 -0.8683 -1.5174 C.ar 1 **** 0.0000 9 O 1.6078 -1.1500 -2.7724 O.3 1 **** 0.0000 10 C 2.8295 -1.8372 -2.7410 C.3 1 **** 0.0000 11 O 3.1109 -1.9247 -0.6038 O.3 1 **** 0.0000 12 C 3.3638 -2.1127 -1.9699 C.3 1 **** 0.0000 13 C -0.1658 0.0231 2.4531 C.3 1 **** 0.0000 14 C -1.4698 0.7554 2.3856 C.ar 1 **** 0.0000 15 C -2.6248 0.1559 1.9388 C.ar 1 **** 0.0000 16 N -3.8111 0.7879 1.8669 N.ar 1 **** 0.0000 17 C -3.8105 2.0700 2.2645 C.ar 1 **** 0.0000 18 N -2.7494 2.7566 2.7170 N.ar 1 **** 0.0000 19 C -1.5915 2.0720 2.7663 C.ar 1 **** 0.0000 20 N -0.5585 2.6720 3.1857 N.3 1 **** 0.0000 21 N -4.9132 2.6893 2.2075 N.3 1 **** 0.0000 22 H -0.7677 0.1324 -4.4535 H 1 **** 0.0000 23 H 0.8610 0.2852 -3.6622 H 1 **** 0.0000 24 H -0.0305 -1.2984 -3.6096 H 1 **** 0.0000 25 H -1.4049 0.6432 0.1179 H 1 **** 0.0000 26 H 2.1070 -1.2809 1.7420 H 1 **** 0.0000 27 H 3.1588 -2.0573 -3.7811 H 1 **** 0.0000 28 H 3.5956 -1.2079 -2.2352 H 1 **** 0.0000 29 H 2.7039 -2.7914 -2.1820 H 1 **** 0.0000 30 H 4.3252 -2.6587 -2.0981 H 1 **** 0.0000 31 H 2.5377 -2.7064 -2.4214 H 1 **** 0.0000 32 H 3.4293 -1.1229 -2.4746 H 1 **** 0.0000 33 H -0.3024 -0.9251 3.0196 H 1 **** 0.0000 34 H 0.5899 0.6581 2.9674 H 1 **** 0.0000 35 H -2.5762 -0.8968 1.6234 H 1 **** 0.0000 36 H -0.6198 3.6770 3.4834 H 1 **** 0.0000 37 H 0.3594 2.1646 3.2357 H 1 **** 0.0000 38 H -4.9671 3.6942 2.5070 H 1 **** 0.0000 39 H -5.7740 2.1979 1.8608 H 1 **** 0.0000 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 3 4 1 7 3 8 2 8 4 5 2 9 4 25 1 10 5 6 1 11 5 13 1 12 6 7 2 13 6 26 1 14 7 8 1 15 7 11 1 16 8 9 1 17 9 10 1 18 10 27 1 19 10 28 1 20 10 29 1 21 11 12 1 22 12 30 1 23 12 31 1 24 12 32 1 25 13 14 1 26 13 33 1 27 13 34 1 28 14 15 2 29 14 19 1 30 15 16 1 31 15 35 1 32 16 17 2 33 17 18 1 34 17 21 1 35 18 19 2 36 19 20 1 37 20 36 1 38 20 37 1 39 21 38 1 40 21 39 1