|
|
| RDKit 3D |
|
|
| 26 25 0 0 0 0 0 0 0 0999 V2000 |
| 10.1565 1.1003 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 9.0783 1.1754 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 7.7356 1.6118 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 6.6547 1.6813 -0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 5.3151 2.2194 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.6532 1.4037 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 4.3855 -0.0684 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 3.5085 -0.3239 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 2.1236 0.3358 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1.2373 -0.0536 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.7752 -1.4990 0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.8996 -2.2362 -0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| 0.1591 -1.8894 1.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| -0.4002 -3.2145 1.9929 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -1.8877 -3.2774 1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -2.1842 -3.0975 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.5881 -3.2777 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.9775 -3.2604 -1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -3.8264 -1.8902 -2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -4.4285 -0.8127 -1.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -5.8527 -0.8785 -1.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -6.3964 0.3883 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -7.8231 0.3380 -0.6413 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4204 1.4588 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -8.4895 2.6674 -0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| -9.2366 3.8247 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| 1 2 1 0 |
| 2 3 1 0 |
| 3 4 1 0 |
| 4 5 1 0 |
| 5 6 1 0 |
| 6 7 1 0 |
| 7 8 1 0 |
| 8 9 1 0 |
| 9 10 1 0 |
| 10 11 1 0 |
| 11 12 2 0 |
| 11 13 1 0 |
| 13 14 1 0 |
| 14 15 1 0 |
| 15 16 1 0 |
| 16 17 1 0 |
| 17 18 1 0 |
| 18 19 1 0 |
| 19 20 1 0 |
| 20 21 1 0 |
| 21 22 1 0 |
| 22 23 1 0 |
| 23 24 1 0 |
| 24 25 1 0 |
| 25 26 1 0 |
| M END |
| $$$$ |
|
|
