74
Lattice="23.7393517311 0.0 0.0 0.0 11.560597286 0.0 0.0 0.0 5.1129399678" Properties=species:S:1:pos:R:3 pbc="F F F"
C        3.81732688       6.29346356       2.24211655
C        2.77162108       5.45874382       1.84415743
C        1.41598147       5.89970828       1.92679239
C        1.03703087       7.13786203       2.37479448
C        2.07363941       8.00138704       2.76965294
N        2.02793327       9.26079631       3.25004844
N        4.19358302       8.61345403       3.14664181
C        3.43230944       7.59109790       2.70156597
H        0.64982789       5.20606307       1.60062078
C        2.99808485       4.07418405       1.28441868
H        3.88187796       4.03099535       0.64825257
H        3.13221842       3.32929544       2.07383424
H        2.13683154       3.76392287       0.69139789
N        3.30497178       9.55040663       3.44112195
C        3.71220801      10.81431400       4.02910553
H        3.78772855      10.71494872       5.11293997
H        2.96277071      11.56059729       3.78044233
H        4.68130049      11.08805886       3.62035349
C       10.77154013       3.50514759       2.82531296
C       10.09713670       2.35632209       3.17426821
C        8.71756604       2.67012773       3.11195854
C        8.60962041       3.99017498       2.72151032
O        9.87322495       4.49010527       2.54940893
C        7.51015789       4.86704274       2.47738239
C        7.56428937       6.17395969       2.04367892
C        6.29537996       6.77316378       1.91281787
C        5.24037010       5.94594947       2.21924841
S        5.84651932       4.36620881       2.71882214
H        6.15142645       7.79792160       1.60603708
H       10.54114608       1.41022383       3.42972025
H        8.49934379       6.67053610       1.82851508
O        7.63883527       1.89012413       3.35826048
C        7.89529778       0.55154631       3.76693109
H        8.44000003      -0.00000000       2.99469856
H        6.92226889       0.09119670       3.92040504
H        8.46102102       0.52617428       4.70317615
C       15.06966778       4.28855994       2.55527083
C       14.54034924       3.12626253       3.12741644
C       13.14017993       2.92458447       3.19224334
C       12.17878233       3.80932622       2.72631069
C       12.69932726       5.00574920       2.15955417
N       12.07651097       6.06549427       1.60526306
N       14.30506341       6.41591471       1.48700696
C       14.10309544       5.22560053       2.08695334
H       12.80418495       2.01222940       3.66965120
C       15.40582715       2.04816651       3.73484395
H       16.31284689       2.45936672       4.17663436
H       14.85556696       1.51450720       4.51101007
H       15.71358961       1.30710097       2.99116967
N       13.07931419       6.84299190       1.23496533
C       12.84361290       8.14748533       0.64107250
H       12.75104269       8.90222787       1.42335360
H       11.92231748       8.09967731       0.06694605
H       13.68778569       8.38605270       0.00000000
C       20.88123862       8.44793966       2.86236396
C       21.89214288       7.58701646       2.57231980
C       21.26983434       6.32042418       2.34935193
C       19.91405173       6.49401245       2.51679034
O       19.68508504       7.81240424       2.83511225
C       18.79721387       5.60338519       2.43533084
C       18.80586330       4.26212264       2.12150002
C       17.51910646       3.68338575       2.12800030
C       16.50037467       4.55623129       2.43413105
S       17.16270501       6.16745861       2.71602399
H       17.34443576       2.64637869       1.88295661
H       22.93999717       7.82917459       2.52574849
H       19.71270133       3.72413699       1.89004149
O       21.83356667       5.12936266       2.02980192
C       23.25056336       5.11090376       1.89755461
H       23.58247880       5.77859175       1.09683012
H       23.51723496       4.08715643       1.64588553
H       23.73935173       5.39249282       2.83506265
H        0.00000000       7.44167608       2.42196449
H       20.85522211       9.49693015       3.09862027