@MOLECULE DB02099 41 41 1 SMALL USER_CHARGES @ATOM 1 N1 0.0891 3.7621 -1.9241 N.4 1 noname 0.0057 2 C1 -0.1090 2.5324 -1.1586 C.3 1 noname 0.0033 3 C2 -0.3318 4.9092 -1.1213 C.3 1 noname -0.0077 4 C3 1.5036 3.9001 -2.2672 C.3 1 noname -0.0221 5 C4 -1.6187 2.3852 -0.7924 C.3 1 noname 0.0168 6 C5 0.4278 1.3083 -1.9855 C.3 1 noname 0.0024 7 C6 -0.1245 6.1961 -1.9224 C.3 1 noname 0.0139 8 C7 -1.9195 1.0439 -0.2966 C.2 1 noname -0.0781 9 C8 0.0779 -0.0654 -1.3280 C.3 1 noname -0.0259 10 C9 -0.5362 7.3180 -1.1371 C.2 1 noname -0.0797 11 C10 -1.1632 -0.0462 -0.5495 C.2 1 noname -0.0775 12 C11 -0.4449 8.5478 -1.6353 C.2 1 noname -0.0799 13 C12 -1.6134 -1.2915 -0.0097 C.3 1 noname -0.0439 14 C13 -0.8565 9.6697 -0.8500 C.3 1 noname -0.0442 15 C14 0.0650 8.7481 -2.9562 C.3 1 noname -0.0442 16 H1 -0.4605 3.7239 -2.7707 H 1 noname 0.2580 17 H2 0.4705 2.6384 -0.2415 H 1 noname 0.0981 18 H3 -1.4037 4.7886 -0.9643 H 1 noname 0.0943 19 H4 0.3439 4.9415 -0.2666 H 1 noname 0.0943 20 H5 2.0951 3.9578 -1.3535 H 1 noname 0.0902 21 H6 1.8215 3.0369 -2.8519 H 1 noname 0.0902 22 H7 1.6487 4.8085 -2.8519 H 1 noname 0.0902 23 H8 -1.8195 3.0509 0.0470 H 1 noname 0.0379 24 H9 -2.1913 2.4831 -1.7147 H 1 noname 0.0379 25 H10 -0.1027 1.3288 -2.9375 H 1 noname 0.0339 26 H11 1.5151 1.3818 -1.9658 H 1 noname 0.0339 27 H12 0.9465 6.3250 -2.0789 H 1 noname 0.0376 28 H13 -0.8011 6.1722 -2.7766 H 1 noname 0.0376 29 H14 -2.7927 0.8364 0.3219 H 1 noname 0.0578 30 H15 -0.1164 -0.7679 -2.1384 H 1 noname 0.0315 31 H16 0.8580 -0.2785 -0.5973 H 1 noname 0.0315 32 H17 -0.9327 7.2329 -0.1254 H 1 noname 0.0577 33 H18 -1.5959 -1.2431 1.0791 H 1 noname 0.0276 34 H19 -2.6307 -1.4877 -0.3484 H 1 noname 0.0276 35 H20 -0.9568 -2.0929 -0.3484 H 1 noname 0.0276 36 H21 -0.7667 9.4250 0.2084 H 1 noname 0.0276 37 H22 -0.2228 10.5262 -1.0799 H 1 noname 0.0276 38 H23 -1.8938 9.9131 -1.0799 H 1 noname 0.0276 39 H24 0.2464 7.7815 -3.4261 H 1 noname 0.0276 40 H25 -0.6617 9.3078 -3.5451 H 1 noname 0.0276 41 H26 0.9989 9.3078 -2.9042 H 1 noname 0.0276 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 3 7 1 7 5 8 1 8 6 9 1 9 7 10 1 10 8 11 2 11 9 11 1 12 10 12 2 13 11 13 1 14 12 14 1 15 12 15 1 16 1 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 4 22 1 23 5 23 1 24 5 24 1 25 6 25 1 26 6 26 1 27 7 27 1 28 7 28 1 29 8 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 13 33 1 34 13 34 1 35 13 35 1 36 14 36 1 37 14 37 1 38 14 38 1 39 15 39 1 40 15 40 1 41 15 41 1 @SUBSTRUCTURE 1 noname 1