REMARK Name = BDB010140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.211 -0.778 0.969 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.822 -0.708 0.908 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.055 -1.299 1.899 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.276 -1.183 1.650 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.366 -0.516 0.523 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.556 -1.928 2.974 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.902 -1.903 2.983 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.114 -0.113 0.088 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.729 -1.375 2.059 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.512 -0.179 -0.133 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -2.763 -0.860 -1.423 0.00 0.00 +0.142 C ATOM 12 C LIG 1 -4.086 -1.665 -1.469 0.00 0.00 +0.080 C ATOM 13 C LIG 1 -4.375 -2.045 -2.931 0.00 0.00 +0.043 C ATOM 14 C LIG 1 -4.001 -2.965 -0.657 0.00 0.00 +0.043 C ATOM 15 O LIG 1 -5.237 -0.916 -1.040 0.00 0.00 -0.365 OA ATOM 16 C LIG 1 -5.007 0.133 -0.083 0.00 0.00 +0.080 C ATOM 17 C LIG 1 -5.036 1.475 -0.830 0.00 0.00 +0.043 C ATOM 18 C LIG 1 -6.205 0.090 0.877 0.00 0.00 +0.043 C ATOM 19 C LIG 1 -3.704 -0.038 0.733 0.00 0.00 +0.142 C ENDBRANCH 5 10 BRANCH 1 20 ATOM 20 N LIG 1 3.044 -0.280 -0.027 0.00 0.00 -0.324 N ATOM 21 H LIG 1 2.695 -0.495 -0.953 0.00 0.00 +0.148 HD BRANCH 20 23 ATOM 22 C LIG 1 5.200 0.568 -0.703 0.00 0.00 +0.028 C ATOM 23 C LIG 1 4.490 -0.523 0.102 0.00 0.00 +0.072 C BRANCH 23 24 ATOM 24 C LIG 1 4.855 -1.946 -0.360 0.00 0.00 +0.009 C ATOM 25 C LIG 1 4.739 -2.335 -1.858 0.00 0.00 +0.005 C ATOM 26 C LIG 1 6.270 -2.236 -1.970 0.00 0.00 +0.001 C ATOM 27 C LIG 1 6.352 -2.346 -0.438 0.00 0.00 +0.005 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 1 20 BRANCH 7 28 ATOM 28 C LIG 1 2.529 -2.580 4.172 0.00 0.00 +0.375 C ATOM 29 O LIG 1 3.724 -2.701 4.380 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 1.573 -3.063 5.017 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 0.675 -2.861 4.662 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.136 0.887 -0.938 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 C LIG 1 0.147 2.285 -0.367 0.00 0.00 -0.028 A ATOM 34 C LIG 1 1.335 2.862 0.102 0.00 0.00 +0.006 A ATOM 35 C LIG 1 1.335 4.151 0.644 0.00 0.00 +0.013 A ATOM 36 C LIG 1 0.148 4.892 0.723 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -1.042 4.311 0.265 0.00 0.00 +0.013 A ATOM 38 C LIG 1 -1.041 3.023 -0.276 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 0.144 6.274 1.330 0.00 0.00 +0.417 C ATOM 40 F LIG 1 1.324 6.935 1.164 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -0.088 6.251 2.671 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -0.813 7.086 0.798 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9