| [4625] | 1 | 30 |
|---|
| 2 | Energy: 83.5152028 |
|---|
| 3 | C 0.73064 1.06103 -1.23591 |
|---|
| 4 | C 2.91368 0.09722 -0.94649 |
|---|
| 5 | C 0.12929 -0.17707 -0.95076 |
|---|
| 6 | C 2.32703 -1.13368 -0.66890 |
|---|
| 7 | C -1.38070 -0.31852 -0.93491 |
|---|
| 8 | C 2.12219 1.20095 -1.23381 |
|---|
| 9 | C -2.08895 -0.00013 0.41722 |
|---|
| 10 | C 0.94708 -1.28296 -0.67339 |
|---|
| 11 | C -1.93288 1.50616 0.72858 |
|---|
| 12 | C -3.59131 -0.29161 0.25423 |
|---|
| 13 | N -2.12902 -0.71694 2.79922 |
|---|
| 14 | N -1.49145 -0.85497 1.50471 |
|---|
| 15 | O 3.11206 -2.21369 -0.38237 |
|---|
| 16 | O 4.27877 0.17162 -0.92431 |
|---|
| 17 | O -2.06698 2.40702 -0.08884 |
|---|
| 18 | O -1.67781 1.75565 2.03701 |
|---|
| 19 | H 0.51731 -2.25797 -0.45800 |
|---|
| 20 | H 2.55708 2.17024 -1.45571 |
|---|
| 21 | H 0.11633 1.93156 -1.46544 |
|---|
| 22 | H -1.62821 -1.34524 -1.24094 |
|---|
| 23 | H -1.78864 0.31876 -1.73216 |
|---|
| 24 | H -4.00200 0.24435 -0.60997 |
|---|
| 25 | H -4.17019 0.03507 1.12554 |
|---|
| 26 | H -3.77669 -1.36062 0.10008 |
|---|
| 27 | H -1.64472 -1.30780 3.49338 |
|---|
| 28 | H -3.07178 -1.13534 2.78173 |
|---|
| 29 | H -0.47522 -0.67826 1.53530 |
|---|
| 30 | H 4.02675 -1.87368 -0.45162 |
|---|
| 31 | H 4.53224 1.08497 -1.14405 |
|---|
| 32 | H -1.71689 0.87712 2.50412 |
|---|
