CHARGE 0.00 Formula: H14C8N2O3 ATOM 1 H1 MOL 1 0.588 1.627 1.974 0.103370 H1 ATOM 2 C1 MOL 1 0.631 2.240 1.083 -0.370410 C1 ATOM 3 H2 MOL 1 1.621 2.133 0.653 0.103370 H2 ATOM 4 H3 MOL 1 0.484 3.277 1.347 0.103370 H3 ATOM 5 C2 MOL 1 -0.425 1.871 0.064 0.754890 C2 ATOM 6 O1 MOL 1 -1.023 2.716 -0.547 -0.616800 O1 ATOM 7 N1 MOL 1 -0.669 0.549 -0.153 -0.328530 N1 ATOM 8 C3 MOL 1 -1.810 0.153 -0.975 -0.082540 C3 ATOM 9 H4 MOL 1 -1.552 0.144 -2.030 0.061520 H4 ATOM 10 H5 MOL 1 -2.625 0.850 -0.844 0.061520 H5 ATOM 11 C4 MOL 1 -2.136 -1.250 -0.475 0.494500 C4 ATOM 12 H6 MOL 1 -2.624 -1.851 -1.236 -0.047490 H6 ATOM 13 O2 MOL 1 -2.902 -1.220 0.700 -0.710520 O2 ATOM 14 C5 MOL 1 -0.767 -1.796 -0.096 -0.135210 C5 ATOM 15 H7 MOL 1 -0.239 -2.112 -0.989 0.062910 H7 ATOM 16 H8 MOL 1 -0.832 -2.633 0.584 0.062910 H8 ATOM 17 C6 MOL 1 -0.065 -0.584 0.543 -0.040090 C6 ATOM 18 H9 MOL 1 -0.283 -0.554 1.602 0.082510 H9 ATOM 19 C7 MOL 1 1.454 -0.689 0.431 0.621740 C7 ATOM 20 O3 MOL 1 2.104 -1.086 1.358 -0.539600 O3 ATOM 21 N2 MOL 1 1.987 -0.398 -0.774 -0.475370 N2 ATOM 22 H10 MOL 1 1.412 0.058 -1.445 0.286570 H10 ATOM 23 C8 MOL 1 3.415 -0.454 -1.002 -0.284610 C8 ATOM 24 H11 MOL 1 3.939 0.350 -0.495 0.138040 H11 ATOM 25 H12 MOL 1 3.807 -1.394 -0.642 0.138040 H12 ATOM 26 H13 MOL 1 3.600 -0.379 -2.065 0.138040 H13 ATOM 27 H14 MOL 1 -3.735 -0.800 0.536 0.417830 H14 BOND 1 1 2 1 H1 C1 BOND 2 2 3 1 C1 H2 BOND 3 2 4 1 C1 H3 BOND 4 2 5 1 C1 C2 BOND 5 5 6 2 C2 O1 BOND 6 5 7 1 C2 N1 BOND 7 7 8 1 N1 C3 BOND 8 7 17 1 N1 C6 BOND 9 8 9 1 C3 H4 BOND 10 8 10 1 C3 H5 BOND 11 8 11 1 C3 C4 BOND 12 11 12 1 C4 H6 BOND 13 11 13 1 C4 O2 BOND 14 11 14 1 C4 C5 BOND 15 13 27 1 O2 H14 BOND 16 14 15 1 C5 H7 BOND 17 14 16 1 C5 H8 BOND 18 14 17 1 C5 C6 BOND 19 17 18 1 C6 H9 BOND 20 17 19 1 C6 C7 BOND 21 19 20 2 C7 O3 BOND 22 19 21 1 C7 N2 BOND 23 21 22 1 N2 H10 BOND 24 21 23 1 N2 C8 BOND 25 23 24 1 C8 H11 BOND 26 23 25 1 C8 H12 BOND 27 23 26 1 C8 H13