Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Sa Ra |
Isotopomer |
CW |
CW |
CCW |
CCW |
CW |
CW |
CW |
CW |
CCW |
HD |
HD |
HD |
HD |
HD |
HD |
HD |
|
|
|
C1-N7 |
{1.25969, 6.20430, 1.17453} |
{1.25969, 6.20430, 1.17453} |
{1.46775, 6.66070, 0.98733} |
{1.46775, 6.66070, 0.98733} |
{1.25965, 6.20425, 1.17653} |
{1.25965, 6.20425, 1.17653} |
{1.25965, 6.20425, 1.17653} |
{1.25965, 6.20425, 1.17653} |
{1.46784, 6.66056, 0.98735} |
C1-H3 |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{5.36658, 4.61228, 1.11240} |
{5.36658, 4.61228, 1.11240} |
{5.36658, 4.61228, 1.11240} |
{5.36658, 4.61228, 1.11240} |
{6.31493, 4.48255, 1.58443} |
C1-D3 |
{5.36654, 4.61234, 1.11207} |
{5.36654, 4.61234, 1.11207} |
{6.31495, 4.49247, 1.58430} |
{6.31495, 4.49247, 1.58430} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
C1-H10 |
{5.98267, 4.21167, 1.47115} |
{5.98267, 4.21167, 1.47115} |
{5.65679, 5.06483, 1.31864} |
{5.65679, 5.06483, 1.31864} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—,—, —} |
C1-D10 |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{5.98258, 4.21165, 1.47086} |
{5.98258, 4.21165, 1.47086} |
{5.98258, 4.21165, 1.47086} |
{5.98258, 4.21165, 1.47086} |
{5.65675, 5.06488, 1.31863} |
C2-O5 |
{2.82360, 3.94348, 2.87514} |
{2.82360, 3.94348, 2.87514} |
{3.32765, 4.37802, 3.93280} |
{3.32765, 4.37802, 3.93280} |
{2.82333, 3.94361, 2.87495} |
{2.82333, 3.94361, 2.87495} |
{2.82333, 3.94361, 2.87495} |
{2.82333, 3.94361, 2.87495} |
{3.32759, 4.37821, 3.93148} |
O5-H6 |
{25.61721, 1.11027,6.38973} |
{25.61721, 1.11027,6.38973} |
{28.60879, 1.67954,8.25715} |
{28.60879, 1.67954,8.25715} |
{25.61738, 1.10925,6.38971} |
{25.61738, 1.10925,6.38971} |
{25.61738, 1.10925,6.38971} |
{25.61738, 1.10925,6.38971} |
{28.60883, 1.67965,8.25713} |
HT |
HT |
HT |
HT |
HT |
HT |
HT |
HT |
|
|
C1-N7 |
{1.34308, 6.22003, 1.20499} |
{1.34308, 6.22003, 1.20499} |
{1.31574, 6.81512, 0.97125} |
{1.31574, 6.81512, 0.97125} |
{1.38459, 6.17378, 1.12404} |
{1.38459, 6.17378, 1.12404} |
{1.38459, 6.17378, 1.12404} |
{1.38459, 6.17378, 1.12404} |
{1.26306, 6.86274, 1.08107} |
C1-H3 |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{5.31281, 4.75163, 1.07927} |
{5.31281, 4.75163, 1.07927} |
{5.31281, 4.75163, 1.07927} |
{5.31281, 4.75163, 1.07927} |
{6.42394, 4.83984, 1.59242} |
C1-T3 |
{5.34733, 4.68833, 1.17787} |
{5.34733, 4.68833, 1.17787} |
{6.47606, 4.81406, 1.47222} |
{6.47606, 4.81406, 1.47222} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
C1-H10 |
{5.86356, 4.46846, 1.42940} |
{5.86356, 4.46846, 1.42940} |
{5.87796, 5.10046, 1.19824} |
{5.87796, 5.10046, 1.19824} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
C1-T10 |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{—, —, —} |
{5.91646, 4.45681, 1.31813} |
{5.91646, 4.45681, 1.31813} |
{5.91646, 4.45681, 1.31813} |
{5.91646, 4.45681, 1.31813} |
{5.91642, 5.04547, 1.30523} |
C2-O5 |
{2.12201, 4.47510, 2.14513} |
{2.12201, 4.47510, 2.14513} |
{2.48854, 4.85582, 2.75258} |
{2.48854, 4.85582, 2.75258} |
{2.09898, 4.54420, 2.19412} |
{2.09898, 4.54420, 2.19412} |
{2.09898, 4.54420, 2.19412} |
{2.09898, 4.54420, 2.19412} |
{2.51075, 4.78969, 2.78793} |
O5-H6 |
{25.42079, 0.86864,4.96079} |
{25.42079, 0.86864,4.96079} |
{27.74975, 1.22755,6.00838} |
{27.74975, 1.22755,6.00838} |
{25.67682, 0.84830,5.17380} |
{25.67682, 0.84830,5.17380} |
{25.67682, 0.84830,5.17380} |
{25.67682, 0.84830,5.17380} |
{27.51096, 1.23414,6.17940} |
HH |
HH |
CW |
CW |
CW |
CW |
CCW |
CCW |
CCW |
CCW |
C1-N7 |
{3.26019, 1.60696, 0.54036} |
{3.26019, 1.60696, 0.54036} |
{3.26019, 1.60696, 0.54036} |
{3.44982, 1.27642, 0.71997} |
{3.44982, 1.27642, 0.71997} |
{3.44982, 1.27642, 0.71997} |
{3.44982, 1.27642, 0.71997} |
{3.44982, 1.27642, 0.71997} |
{3.44982, 1.27642, 0.71997} |
C1-H3 |
{3.33726, 3.75752, 0.35676} |
{3.33726, 3.75752, 0.35676} |
{3.33726, 3.75752, 0.35676} |
{3.79503, 4.68194, 0.71777} |
{3.79503, 4.68194, 0.71777} |
{3.79503, 4.68194, 0.71777} |
{3.79503, 4.68194, 0.71777} |
{3.79503, 4.68194, 0.71777} |
{3.79503, 4.68194, 0.71777} |
C1-H10 |
{3.90399, 4.38773, 0.55697} |
{3.90399, 4.38773, 0.55697} |
{3.90399, 4.38773, 0.55697} |
{4.47024, 4.33847, 0.39951} |
{4.47024, 4.33847, 0.39951} |
{4.47024, 4.33847, 0.39951} |
{4.47024, 4.33847, 0.39951} |
{4.47024, 4.33847, 0.39951} |
{4.47024, 4.33847, 0.39951} |
C2-O5 |
{2.82335, 3.94348, 2.87501} |
{2.82335, 3.94348, 2.87501} |
{2.82335, 3.94348, 2.87501} |
{3.32762, 4.37806, 3.93266} |
{3.32762, 4.37806, 3.93266} |
{3.32762, 4.37806, 3.93266} |
{3.32762, 4.37806, 3.93266} |
{3.32762, 4.37806, 3.93266} |
{3.32762, 4.37806, 3.93266} |
O5-H6 |
{25.61750, 1.10918, 6.38972} |
{25.61750, 1.10918, 6.38972} |
{25.61750, 1.10918, 6.38972} |
{28.60857, 1.67940, 8.25731} |
{28.60857, 1.67940, 8.25731} |
{28.60857, 1.67940, 8.25731} |
{28.60857, 1.67940, 8.25731} |
{28.60857, 1.67940, 8.25731} |
{28.60857, 1.67940, 8.25731} |