@MOLECULE 117587648 34 33 1 SMALL USER_CHARGES @ATOM 1 C1 1.7905 -0.2567 -0.5028 C.3 1 noname -0.0666 2 C2 0.0045 1.1842 0.8779 C.3 1 noname -0.0666 3 C3 2.0800 -1.0935 0.7450 C.3 1 noname -0.0515 4 C4 0.9477 2.3884 0.8413 C.3 1 noname -0.0515 5 C5 2.0073 -1.1124 -1.7524 C.3 1 noname -0.0693 6 C6 -1.4449 1.6726 0.9164 C.3 1 noname -0.0693 7 C7 3.5294 -1.5819 0.7065 C.3 1 noname -0.0632 8 C8 1.1368 -2.2976 0.7815 C.3 1 noname -0.0632 9 C9 0.7309 3.2441 2.0909 C.3 1 noname -0.0632 10 C10 0.6582 3.2252 -0.4064 C.3 1 noname -0.0632 11 B1 0.2369 0.2669 -0.4616 B 1 noname 0.1320 12 H1 2.4624 0.6012 -0.5289 H 1 noname 0.0212 13 H2 0.2107 0.5880 1.7668 H 1 noname 0.0212 14 H3 1.9255 -0.4838 1.6352 H 1 noname 0.0292 15 H4 1.9803 2.0404 0.8139 H 1 noname 0.0292 16 H5 1.8011 -0.5163 -2.6413 H 1 noname 0.0226 17 H6 1.3354 -1.9703 -1.7263 H 1 noname 0.0226 18 H7 3.0399 -1.4604 -1.7798 H 1 noname 0.0226 19 H8 -2.1169 0.8148 0.9424 H 1 noname 0.0226 20 H9 -1.6512 2.2688 0.0275 H 1 noname 0.0226 21 H10 -1.5994 2.2823 1.8066 H 1 noname 0.0226 22 H11 3.7356 -2.1781 1.5954 H 1 noname 0.0233 23 H12 3.6839 -2.1916 -0.1838 H 1 noname 0.0233 24 H13 1.3430 -2.8938 1.6705 H 1 noname 0.0233 25 H14 1.2913 -2.9073 -0.1087 H 1 noname 0.0233 26 H15 0.1042 -1.9497 0.8089 H 1 noname 0.0233 27 H16 4.2013 -0.7240 0.6804 H 1 noname 0.0233 28 H17 1.4028 4.1020 2.0649 H 1 noname 0.0233 29 H18 1.3301 4.0830 -0.4325 H 1 noname 0.0233 30 H19 0.8126 2.6155 -1.2967 H 1 noname 0.0233 31 H20 -0.3017 3.5921 2.1183 H 1 noname 0.0233 32 H21 0.9371 2.6480 2.9798 H 1 noname 0.0233 33 H22 -0.3744 3.5732 -0.3790 H 1 noname 0.0233 34 H23 0.0098 0.9232 -1.4402 H 1 noname -0.0203 @BOND 1 1 3 1 2 1 5 1 3 1 11 1 4 1 12 1 5 2 4 1 6 2 6 1 7 2 11 1 8 2 13 1 9 3 7 1 10 3 8 1 11 3 14 1 12 4 9 1 13 4 10 1 14 4 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 7 27 1 24 8 24 1 25 8 25 1 26 8 26 1 27 9 28 1 28 9 31 1 29 9 32 1 30 10 29 1 31 10 30 1 32 10 33 1 33 11 34 1 @SUBSTRUCTURE 1 noname 1