REMARK Name = BDB011279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.921 0.936 0.006 0.00 0.00 +0.054 A ATOM 2 N LIG 1 -0.232 0.712 0.773 0.00 0.00 -0.339 N ATOM 3 C LIG 1 -1.291 0.719 -0.088 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.771 0.555 -0.024 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -3.110 0.890 -1.444 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.964 1.052 -2.258 0.00 0.00 +0.253 C ATOM 7 O LIG 1 -1.883 1.237 -3.462 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.850 0.984 -1.354 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.536 1.095 -1.325 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.429 0.753 -1.964 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -5.568 1.275 -1.313 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -5.505 2.187 -0.119 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.848 0.998 -1.834 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -7.004 0.265 -3.008 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.879 -0.195 -3.678 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.063 -1.086 -5.138 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.605 0.049 -3.169 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -3.212 -0.852 0.356 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -4.109 -1.046 1.419 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -4.535 -2.330 1.772 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -4.070 -3.434 1.063 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -4.592 -5.013 1.502 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -3.184 -3.267 0.003 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.759 -1.984 -0.349 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 2.753 2.072 1.299 0.00 0.00 +0.129 A ATOM 26 C LIG 1 2.286 0.988 0.539 0.00 0.00 +0.040 A ATOM 27 C LIG 1 3.167 -0.065 0.253 0.00 0.00 +0.017 A ATOM 28 C LIG 1 4.483 -0.060 0.744 0.00 0.00 -0.038 A ATOM 29 C LIG 1 4.916 1.021 1.525 0.00 0.00 +0.008 A ATOM 30 C LIG 1 4.052 2.080 1.808 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 2.083 4.167 0.658 0.00 0.00 +0.277 C ATOM 32 O LIG 1 1.922 3.119 1.615 0.00 0.00 -0.494 OA ENDBRANCH 25 32 BRANCH 28 33 ATOM 33 C LIG 1 5.426 -1.198 0.418 0.00 0.00 +0.131 C BRANCH 33 34 ATOM 34 C LIG 1 6.399 -0.907 -0.723 0.00 0.00 +0.219 C ATOM 35 N LIG 1 7.231 -1.960 -1.119 0.00 0.00 -0.307 N ATOM 36 C LIG 1 8.064 -1.761 -2.294 0.00 0.00 +0.131 C ATOM 37 C LIG 1 7.051 -3.339 -0.691 0.00 0.00 +0.131 C ATOM 38 O LIG 1 6.464 0.201 -1.258 0.00 0.00 -0.275 OA ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 1 26 BRANCH 2 39 ATOM 39 C LIG 1 -0.245 0.494 2.221 0.00 0.00 +0.081 C ATOM 40 C LIG 1 -0.310 -0.989 2.575 0.00 0.00 +0.030 C ATOM 41 C LIG 1 -1.312 1.307 2.954 0.00 0.00 +0.030 C ENDBRANCH 2 39 TORSDOF 7