atom | 1a | 1b | 6a | 6b |
S1 | −0.046261 | −0.088404 | −0.098049 | −0.089855 |
C2 | −0.182908 | −0.128987 | −0.276021 | −0.280297 |
C3 | 0.918978 | 0.711214 | 1.007407 | 0.931253 |
N4 | −0.080687 | −0.090859 | −0.088637 | −0.083803 |
N5 | −0.300217 | −0.303431 | −0.289096 | −0.288201 |
C6 | 0.108411 | −0.058120 | 0.222995 | 0.299641 |
C7 | −0.422135 | −0.130257 | −0.271779 | −0.353063 |
N10 | −0.345016 | −0.259018 | −0.245743 | −0.283129 |
C11 | −0.375505 | −0.512285 | −1.461412 | −1.127062 |
O13 | 0.117513 | 0.048156 | 0.115018 | 0.106771 |
O14 | −0.140705 | −0.139254 | 0.054591 | 0.024536 |
O15 | −0.140772 | −0.173887 | 0.266653 | 0.218750 |
C16 | −0.244536 | −0.231232 | −0.229991 | −0.229614 |
P17 | −0.310921 | 0.166952 | −0.117455 | −0.045287 |
O21 | −0.040990 | −0.163310 | 0.074834 | −0.066869 |
O22 | −0.169908 | −0.250323 | −0.000435 | −0.046130 |
S23 | 0.042225 | 0.031299 | 0.130594 | 0.032494 |
C24 | −0.339169 | −0.297619 | 0.177783 | −0.239864 |
C25 | −0.212809 | −0.294822 | 0.074142 | −0.405757 |