Atom                x                          ....y                        ...................z

 C(1)     .....0.686213     .................0.054503     ........................0.416390
 N(2)     .....0.534973     .................0.705406     .......................1.549938
 C(3)     .....1.441108     .................1.744694     .......................1.570124
 C(4)     .....2.124703     .................1.699187     .......................0.418903
 N(5)     .....1.633799    ................. 0.626161   ....................... -0.294851
 C(6)     .....2.098361     .................0.167177    .......................-1.603034
 H(7)     .....1.754155    ................. 0.843988   ....................... -2.372446
 H(8)     .....3.177771     .................0.133339    .......................-1.597132
 H(9)     .....1.716501    .................-0.825905    .......................-1.771190
 C(10)   .....-0.352586    .................0.305078    ....................... 2.661041
 C(11)   .....-1.784114     .................0.041924     .......................2.206641
 C(12)   .....-2.679155    .................-0.326561     .......................3.392473
 C(13)   .....-4.117082    .................-0.614155     .......................2.963794
 H(14)   .....0.074578    .................-0.574883     .......................3.116356
 H(15)   .....-0.318822     .................1.119246     .......................3.372260
 H(16)   .....-1.793440    .................-0.771971     ......................1.492038
 H(17)   .....-2.171623     .................0.927425     .......................1.708212
 H(18)   .....-2.270282    .................-1.202525     .......................3.888160
 H(19)   .....-2.671733     .................0.480313     .......................4.122965
 H(20)    .....0.136519    .................-0.809538     .......................0.118614
 H(21)    .....2.908084     .................2.319735     .......................0.043341
 H(22)    .....1.515497     .................2.412517     .......................2.399512
 P(23)    .....0.249451    .................-3.562999     .......................0.446361
 F(24)   .....-0.897696    .................-4.308866     .......................1.246513
 F(25)    .....0.460516    .................-2.549397     .......................1.699709
 F(26)    .....1.362450    .................-4.526271     ........................1.027321
 F(27)    .....0.033114    .................-4.483514    ........................-0.824074
 F(28)   .....-0.850429    .................-2.504035    ........................-0.136950
 F(29)    .....1.385316    .................-2.719565    ........................-0.354471
 H(30)   .....-4.730357    .................-0.875675    ....................... 3.819546
 H(31)   .....-4.566145     .................0.251999    ........................ 2.485960
 H(32)   .....-4.154744    .................-1.441050     ........................2.262400

bond length

bond angle

dihedral angle

n

c

1

1.315513

n

2

1.315857

1

109.487

c

3

1.378988

2

108.053

1

-0.437

c

4

1.339658

3

107.285

2

0.434

c

3

1.477353

2

125.655

1

-174.661

c

6

1.524796

3

112.747

2

-52.172

c

7

1.530711

6

111.078

3

-178.215

c

8

1.527779

7

112.227

6

-179.24

c

1

1.462131

2

125.183

3

178.831

f

2

2.911725

3

93.083

4

137.664

p

11

1.625675

2

103.17

3

166.494

f

12

1.6257

11

88.028

2

41.627

f

12

1.585089

11

89.895

2

-135.948

f

12

1.582458

11

90.297

2

131.917

f

12

1.583715

11

176.965

2

-10.453

f

12

1.63444

11

87.625

2

-46.058

h

10

1.080993

1

109.823

2

107.573

h

10

1.079956

1

108.815

2

-131.988

h

10

1.077175

1

108.448

2

-13.496

h

6

1.07894

3

107.49

2

70.352

h

6

1.081592

3

105.772

2

-173.412

h

7

1.08313

6

109.535

3

61.351

h

7

1.087523

6

109.304

3

-56.603

h

8

1.086368

7

109.118

6

-57.942

h

8

1.088448

7

109.723

6

58.746

h

2

1.06649

3

125.595

4

178.953

h

5

1.06762

4

131.069

3

179.934

h

4

1.067429

3

121.917

2

-179.333

h

9

1.084809

8

110.862

7

179.815

h

9

1.086373

8

111.246

7

-60.255

h

9

1.084955

8

110.949

7

59.996