Raport final cercetare 2007 - Lorentz JÄNTSCHI

Investigaţii structurale integrate pe compuşi biologic activi
)
[3] => 2.746
[4] => 2.64234898371313
[5] => -0.2916856
[5] => Array
(
[0] => 1
[1] => 1
[2] => 30.9737634
[3] => 2.515
[4] => 2.515
[5] => 0.9998846
)
[6] => Array
(
[0] => 1
[1] => 3
[2] => 12
[3] => 2.746
[4] => 2.64234898371313
[5] => -0.07605362
)
[7] => Array
(
[0] => 1
[1] => 1
[2] => 12
[3] => 2.746
[4] => 2.746
[5] => -0.2473259
)
[8] => Array
(
[0] => 1
[1] => 2
[2] => 12
[3] => 2.746
[4] => 2.66788905316544
[5] => -0.04595566
)
[9] => Array
(
[0] => 1
[1] => 2
[2] => 12
[3] => 2.746
[4] => 2.66788905316544
[5] => -0.04757643
)
[10] => Array
(
[0] => 1
[1] => 2
[2] => 12
[3] => 2.746
[4] => 2.66788905316544
[5] => -0.04881668
)
43(115)
)
[11] => Array
(
[0] => 1
[1] => 2
[2] => 12
[3] => 2.746
[4] => 2.66788905316544
[5] => -0.0406456
)
[12] => Array
(
[0] => 1
[1] => 2
[2] => 12
[3] => 2.746
[4] => 2.66788905316544
[5] => -0.05546284
)
[e] => seed 0
[f] => forcefield mm+
[m] => mol 1
[s] => sys 0 0 1
)
Fragments tree structure: Array
(
[1] => Array
(
[2] => Array
(
[0] => Array
(
[0] => 1
[1] => 5
[2] => 6
[3] => 7
[4] => 8
[5] => 9
[6] => 10
[7] => 11
[8] => 12
)
)
[3] => Array
(
[0] => Array
(
[0] => 1
[1] => 6
)
)
[4] => Array
(
[0] => Array
(
[0] => 1