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paramsLig.txt
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ICOOR_INTERNAL C7 0.000000 0.000000 0.000000 C7 C4 C2
ICOOR_INTERNAL C4 0.000000 179.999999 1.422853 C7 C4 C2
ICOOR_INTERNAL C2 0.000001 57.588025 1.511901 C4 C7 C2
ICOOR_INTERNAL C1 162.310881 61.433953 1.509499 C2 C4 C7
ICOOR_INTERNAL O1 -105.708602 121.667155 1.431330 C1 C2 C4
ICOOR_INTERNAL C3 105.044267 61.349122 1.498889 C1 C2 O1
ICOOR_INTERNAL O2 -89.317809 69.912402 1.425392 C3 C1 C2
ICOOR_INTERNAL H6 62.189143 71.803434 0.971843 O2 C3 C1
ICOOR_INTERNAL C5 122.707987 68.056329 1.539873 C3 C1 O2
ICOOR_INTERNAL C6 -48.961257 66.488271 1.519159 C5 C3 C1
ICOOR_INTERNAL C9 -148.066067 60.936248 1.399845 C6 C5 C3
ICOOR_INTERNAL C10 179.821844 58.984668 1.396882 C9 C6 C5
ICOOR_INTERNAL C8 0.160458 60.546384 1.413615 C10 C9 C6
ICOOR_INTERNAL C11 -179.648779 60.817734 1.420394 C8 C10 C9
ICOOR_INTERNAL C13 179.907651 59.938935 1.413358 C11 C8 C10
ICOOR_INTERNAL C16 -0.081413 60.875598 1.396572 C13 C11 C8
ICOOR_INTERNAL C12 0.140163 59.325516 1.397315 C16 C13 C11
ICOOR_INTERNAL H7 -179.880588 62.638205 1.087509 C12 C16 C13
ICOOR_INTERNAL H10 -179.998802 59.293693 1.087396 C16 C13 C12
ICOOR_INTERNAL C18 -179.890818 60.389103 1.402291 C13 C11 C16
ICOOR_INTERNAL C20 -0.065096 59.419433 1.392999 C18 C13 C11
ICOOR_INTERNAL C19 0.014469 59.906731 1.392282 C20 C18 C13
ICOOR_INTERNAL C14 -0.008883 59.450065 1.401772 C19 C20 C18
ICOOR_INTERNAL C17 179.951309 58.860111 1.400174 C14 C19 C20
ICOOR_INTERNAL C15 -179.880034 59.411427 1.394240 C17 C14 C19
ICOOR_INTERNAL H9 179.938520 61.458153 1.088464 C15 C17 C14
ICOOR_INTERNAL H11 179.943924 59.351958 1.087872 C17 C14 C15
ICOOR_INTERNAL H13 -179.929437 61.199934 1.088538 C19 C20 C14
ICOOR_INTERNAL H14 179.983372 60.078441 1.086969 C20 C18 C19
ICOOR_INTERNAL H12 179.985215 59.363445 1.088453 C18 C13 C20
ICOOR_INTERNAL H5 -179.728934 60.790796 1.089717 C9 C6 C10
ICOOR_INTERNAL O3 122.742650 71.107932 1.428125 C5 C3 C6
ICOOR_INTERNAL H8 59.711481 72.423541 0.973363 O3 C5 C3
ICOOR_INTERNAL H4 116.701531 71.682117 1.097113 C5 C3 O3
ICOOR_INTERNAL H3 120.893872 71.568022 1.096756 C3 C1 C5
ICOOR_INTERNAL H1 147.536774 60.895119 1.081500 C1 C2 C3
ICOOR_INTERNAL H2 146.220627 62.752583 1.086083 C2 C4 C1