Dipole vector (in atomic units): -25.02 -54.01 57.50
Mass Moments vector: 179.50 198.96 339.65
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| show whole-molecule | ChainID = A | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 936. | 92. | 144.21 | 12. | 11. | 1. | 397. | 427. | 0.0011 | 0.4247 |
| No.Dev.Units | -0.71 | -0.89 | -0.78 | -0.76 | -0.86 | 0.56 | -0.35 | -0.61 | 0.43 | 0.20 |
| Dipole vector (in atomic units): -25.02 -54.01 57.50 Mass Moments vector: 179.50 198.96 339.65
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|
| show whole-molecule | ChainID = B | Spherical | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 954. | 94. | 147.42 | 13. | 12. | 1. | 442. | 466. | 0.0010 | 0.4636 |
| No.Dev.Units | -0.69 | -0.88 | -0.76 | -0.70 | -0.81 | 0.56 | -0.24 | -0.60 | 0.43 | 0.33 |
| Dipole vector (in atomic units): 89.83 2.72 -20.07 Mass Moments vector: 219.02 295.51 245.53
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| show whole-molecule | ChainID = C | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 954. | 94. | 146.92 | 13. | 12. | 1. | 416. | 748. | 0.0010 | 0.4360 |
| No.Dev.Units | -0.69 | -0.88 | -0.76 | -0.70 | -0.81 | 0.56 | -0.30 | -0.51 | 0.43 | 0.24 |
| Dipole vector (in atomic units): -85.34 4.20 14.10 Mass Moments vector: 218.16 185.79 334.91
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| show whole-molecule | ChainID = D | Spherical | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 932. | 91. | 143.84 | 12. | 11. | 1. | 396. | 398. | 0.0011 | 0.4253 |
| No.Dev.Units | -0.71 | -0.90 | -0.78 | -0.76 | -0.86 | 0.56 | -0.35 | -0.62 | 0.43 | 0.20 |
| Dipole vector (in atomic units): 35.74 48.01 -56.82 Mass Moments vector: 234.63 211.28 294.14
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| show whole-molecule | ChainID = E | Spherical | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 914. | 89. | 139.64 | 11. | 11. | -0. | 318. | 388. | -0.0000 | 0.3475 |
| No.Dev.Units | -0.73 | -0.91 | -0.81 | -0.82 | -0.86 | 0.43 | -0.54 | -0.62 | 0.25 | -0.08 |
| Dipole vector (in atomic units): -26.39 52.06 -31.09 Mass Moments vector: 233.50 237.24 254.35
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| show whole-molecule | ChainID = F | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 940. | 91. | 143.91 | 12. | 11. | 1. | 375. | 681. | 0.0011 | 0.3994 |
| No.Dev.Units | -0.70 | -0.90 | -0.78 | -0.76 | -0.86 | 0.56 | -0.40 | -0.53 | 0.43 | 0.11 |
| Dipole vector (in atomic units): 51.92 57.98 7.35 Mass Moments vector: 173.55 318.00 234.84
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| show whole-molecule | ChainID = G | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 954. | 94. | 147.38 | 13. | 12. | 1. | 397. | 403. | 0.0010 | 0.4159 |
| No.Dev.Units | -0.69 | -0.88 | -0.76 | -0.70 | -0.81 | 0.56 | -0.35 | -0.62 | 0.43 | 0.16 |
| Dipole vector (in atomic units): 26.12 -76.36 17.67 Mass Moments vector: 182.28 310.05 257.15
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| show whole-molecule | ChainID = H | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 934. | 92. | 144.79 | 12. | 11. | 1. | 401. | 641. | 0.0011 | 0.4294 |
| No.Dev.Units | -0.71 | -0.89 | -0.78 | -0.76 | -0.86 | 0.56 | -0.34 | -0.54 | 0.43 | 0.21 |
| Dipole vector (in atomic units): -56.67 18.22 -58.56 Mass Moments vector: 173.27 194.92 347.35
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| show whole-molecule | ChainID = I | Elongated | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 936. | 92. | 144.88 | 12. | 11. | 1. | 404. | 264. | 0.0011 | 0.4315 |
| No.Dev.Units | -0.71 | -0.89 | -0.78 | -0.76 | -0.86 | 0.56 | -0.33 | -0.66 | 0.43 | 0.22 |
| Dipole vector (in atomic units): -70.73 -45.38 -3.13 Mass Moments vector: 220.87 211.04 309.16
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| show whole-molecule | ChainID = J | Spherical | CRYSTAL STRUCTURE OF CLCFE27A WITH SUBSTRATE | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| No.Atoms | No.Res. | RM | Pos.Res. | Neg.Res. | Charge | Dipole | Quadrapole | Crg./Nat. | Dip./Nat. | |
| Value | 939. | 92. | 144.60 | 12. | 11. | 1. | 399. | 434. | 0.0011 | 0.4244 |
| No.Dev.Units | -0.71 | -0.89 | -0.78 | -0.76 | -0.86 | 0.56 | -0.34 | -0.61 | 0.43 | 0.19 |
| Dipole vector (in atomic units): 65.08 -21.01 47.00 Mass Moments vector: 222.09 257.26 269.60
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