@MOLECULE 1,4-naphthalenedione, 2-(3-hydroperoxy-3,7,11,15-tetramethyl-1-hexadecenyl)-3-methyl- 37 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.0081 -3.2646 0.5499 O.2 1 UNL1 -0.0121 2 O -3.0893 -3.0046 0.3342 O.2 1 UNL1 0.0119 3 O -3.9447 -0.5404 -1.1055 O.2 1 UNL1 -0.3682 4 O -8.2414 1.0407 1.3981 O.2 1 UNL1 -0.4349 5 C 3.0123 -2.2767 -0.6275 C.3 1 UNL1 -0.1764 6 C 7.9411 -0.7749 -1.0239 C.2 1 UNL1 -0.3389 7 C 4.2493 -1.9215 -0.7967 C.1 1 UNL1 -0.0216 8 C 6.7503 -1.5391 -1.2292 C.2 1 UNL1 -0.2783 9 C 5.4808 -1.6881 -0.9999 C.1 1 UNL1 0.0871 10 C 1.7561 -2.0316 0.0204 C.2 1 UNL1 -0.5280 11 C 8.4944 0.2692 -0.4855 C.1 1 UNL1 0.1707 12 C 0.9613 -1.3604 0.7852 C.1 1 UNL1 0.4743 13 C 9.0685 1.2817 0.0190 C.1 1 UNL1 -0.1316 14 C 0.0838 -0.8149 1.5552 C.2 1 UNL1 -0.5373 15 C 1.9173 -3.2209 -0.8394 C.3 1 UNL1 0.4546 16 C 8.0108 -1.9927 -1.8360 C.3 1 UNL1 0.4224 17 C 9.6820 2.3125 0.5120 C.2 1 UNL1 -0.0749 18 C -1.2016 -0.1732 1.6875 C.2 1 UNL1 -0.2614 19 C 10.9965 2.9151 0.5585 C.2 1 UNL1 -0.8463 20 C -0.5085 -0.5962 2.8866 C.3 1 UNL1 0.4298 21 C -2.2188 0.2849 0.9641 C.2 1 UNL1 -0.0271 22 C 9.8614 3.5574 1.2333 C.3 1 UNL1 0.4679 23 C 12.2618 2.9248 0.2522 C.3 1 UNL1 0.5455 24 C -3.5095 0.5421 1.5776 C.2 1 UNL1 -0.1438 25 C -4.6828 0.4349 0.9199 C.2 1 UNL1 -0.0352 26 C -5.9696 0.5306 1.5848 C.2 1 UNL1 -0.6607 27 C -4.7319 0.1808 -0.5475 C.2 1 UNL1 0.4505 28 C -5.7941 0.8967 -1.2802 C.ar 1 UNL1 -0.0573 29 C -7.1645 0.9645 0.8533 C.2 1 UNL1 0.5328 30 C -7.0018 1.2977 -0.5746 C.ar 1 UNL1 -0.0743 31 C -6.0941 0.1857 2.8724 C.2 1 UNL1 0.5876 32 C -5.7831 1.2584 -2.6007 C.ar 1 UNL1 -0.0253 33 C -7.8976 1.9667 -1.3651 C.ar 1 UNL1 -0.0142 34 C -6.6830 1.8986 -3.2499 C.ar 1 UNL1 0.0372 35 C -7.7941 2.2715 -2.6050 C.ar 1 UNL1 0.0247 36 H -2.1230 0.4178 -0.1216 H 1 UNL1 0.1830 37 H -3.4822 0.7848 2.6456 H 1 UNL1 0.1676 @BOND 1 34 35 ar 2 34 32 ar 3 35 33 ar 4 32 28 ar 5 16 8 1 6 16 6 1 7 33 30 ar 8 28 30 ar 9 28 27 1 10 8 6 2 11 8 9 1 12 3 27 2 13 6 11 1 14 9 7 3 15 15 5 1 16 15 10 1 17 7 5 1 18 5 10 1 19 30 29 1 20 27 25 1 21 11 13 3 22 36 21 1 23 13 17 1 24 10 12 2 25 23 19 1 26 2 1 2 27 17 19 2 28 17 22 1 29 19 22 1 30 12 14 2 31 29 4 2 32 29 26 1 33 25 24 2 34 25 26 1 35 21 24 1 36 21 18 2 37 14 18 1 38 14 20 1 39 24 37 1 40 26 31 2 41 18 20 1