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Text File | 1996-12-11 | 4.0 KB | 102 lines | [TEXT/Lnus] |
- - = 0.18 (0.499992,0.499992,0.499992)
- O = 1.4, 0.58 (1,0,0) ;O
- H = 0.9, 0.36 (1,1,1) ;H
- C = 1.5, 0.6 (0.5,0.5,0.5) ;C
- H45:-0.979 -1.176 3.684 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H44:-4.71 0.189 2.707 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H43:-4.159 -0.104 -0.041 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H42:-1.138 2.578 -2.959 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H41:-2.964 1.864 -1.657 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H40:-1.962 3.102 -0.851 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H39:-0.685 -2.836 0.06 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H38:2.511 -0.188 3.097 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H37:4.441 -0.641 -0.92 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H36:5.879 -2.443 2.375 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H35:3.807 -1.926 3.611 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H34:3.321 -3.626 3.486 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- O33:-1.096 -0.19 4.027 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O32:-3.816 0.466 3.183 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O31:-4.207 0.882 0.314 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O30:-0.904 1.923 -2.173 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- C29:-1.998 2.07 -1.194 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- O28:0.242 -3.076 -0.372 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O27:2.579 0.469 2.282 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O26:4.102 -1.521 -0.458 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- O25:5.311 -3.228 2.781 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- C24:3.862 -2.819 2.989 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- H23:4.532 -0.796 1.5 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H22:3.374 -3.389 0.958 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H21:2.456 0.4 0.146 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H20:2.039 -2.099 -0.902 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H19:0.58 -1.102 -1.086 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H18:-1.452 1.757 3.255 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H17:-2.619 -0.69 1.87 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H16:-3.033 2.285 1.347 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- H15:-1.668 0.153 -0.335 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- C14:3.694 -1.234 0.957 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C13:3.195 -2.544 1.624 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- O12:1.716 -2.382 1.846 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- C11:2.471 -0.289 0.991 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C10:1.08 -1.839 -0.458 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C9:1.268 -1.259 0.961 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- O8:-0.07 -0.757 1.449 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- H7:0.663 1.023 2.398 ;type=UNK name= num=1 chain= ss= ssid= elem=H aloc=H
- O6:-0.485 1.553 0.704 ;type=UNK name= num=1 chain= ss= ssid= elem=O aloc=O
- C5:-0.218 0.668 1.879 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C4:-1.373 0.737 2.882 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C3:-2.689 0.344 2.205 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C2:-2.934 1.259 0.995 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- C1:-1.757 1.179 0.017 ;type=UNK name= num=1 chain= ss= ssid= elem=C aloc=C
- O33-H45
- O32-H44
- O31-H43
- O30-H42
- C29-H40
- C29-O30
- C29-H41
- O28-H39
- O27-H38
- O26-H37
- O25-H36
- C24-H35
- C24-H34
- C24-O25
- C14-H23
- C14-O26
- C13-C24
- C13-C14
- C13-H22
- O12-C13
- C11-O27
- C11-H21
- C11-C14
- C10-O28
- C10-H19
- C10-H20
- C9-O12
- C9-C11
- C9-C10
- O8-C9
- C5-H7
- C5-O6
- C5-O8
- C4-O33
- C4-H18
- C4-C5
- C3-O32
- C3-C4
- C3-H17
- C2-C3
- C2-H16
- C2-O31
- C1-C2
- C1-O6
- C1-C29
- C1-H15
- ;;start instance definitions here;;
- ;instancetext:SUCROSE\
- \
- This file contains\
- 45 atoms\
- 46 bonds
-