REMARK Name = BDB032759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.924 -2.029 2.957 0.00 0.00 +0.269 C ENDROOT BRANCH 1 9 ATOM 2 N LIG 1 5.484 -1.022 -0.906 0.00 0.00 -0.282 N ATOM 3 C LIG 1 4.761 -2.087 -0.387 0.00 0.00 +0.248 C ATOM 4 O LIG 1 4.873 -3.268 -0.651 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 3.801 -1.522 0.567 0.00 0.00 +0.042 A ATOM 6 C LIG 1 4.021 -0.149 0.643 0.00 0.00 -0.018 A ATOM 7 C LIG 1 3.242 0.636 1.472 0.00 0.00 +0.006 A ATOM 8 C LIG 1 2.238 0.010 2.222 0.00 0.00 +0.007 A ATOM 9 C LIG 1 2.026 -1.388 2.152 0.00 0.00 -0.010 A ATOM 10 C LIG 1 2.822 -2.167 1.299 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.154 0.237 -0.248 0.00 0.00 +0.144 C BRANCH 2 18 ATOM 12 O LIG 1 10.383 -0.208 -3.224 0.00 0.00 -0.275 OA ATOM 13 C LIG 1 9.290 -0.587 -2.814 0.00 0.00 +0.219 C ATOM 14 N LIG 1 9.146 -1.094 -1.547 0.00 0.00 -0.255 N ATOM 15 H LIG 1 9.979 -1.043 -0.976 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 7.967 -1.171 -0.840 0.00 0.00 +0.240 C ATOM 17 O LIG 1 7.982 -1.188 0.388 0.00 0.00 -0.273 OA ATOM 18 C LIG 1 6.691 -1.223 -1.698 0.00 0.00 +0.163 C ATOM 19 C LIG 1 6.817 -0.214 -2.836 0.00 0.00 +0.041 C ATOM 20 C LIG 1 8.046 -0.543 -3.670 0.00 0.00 +0.098 C ENDBRANCH 2 18 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 O LIG 1 -0.215 -2.247 2.117 0.00 0.00 -0.445 OA BRANCH 21 22 ATOM 22 C LIG 1 -1.162 -1.274 2.143 0.00 0.00 +0.405 C ATOM 23 N LIG 1 -2.150 -1.625 1.268 0.00 0.00 -0.250 N ATOM 24 H LIG 1 -1.981 -2.498 0.789 0.00 0.00 +0.158 HD ATOM 25 O LIG 1 -1.109 -0.272 2.837 0.00 0.00 -0.226 OA BRANCH 23 26 ATOM 26 C LIG 1 -3.322 -0.913 0.968 0.00 0.00 +0.055 A ATOM 27 C LIG 1 -3.693 0.296 1.539 0.00 0.00 +0.136 A ATOM 28 N LIG 1 -4.835 0.968 1.232 0.00 0.00 -0.238 NA ATOM 29 C LIG 1 -5.669 0.450 0.306 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -5.370 -0.771 -0.298 0.00 0.00 +0.045 A ATOM 31 C LIG 1 -4.194 -1.452 0.029 0.00 0.00 +0.028 A BRANCH 29 32 ATOM 32 N LIG 1 -6.847 1.131 0.001 0.00 0.00 -0.315 N ATOM 33 C LIG 1 -7.156 2.266 0.879 0.00 0.00 +0.112 C ATOM 34 C LIG 1 -8.543 2.786 0.544 0.00 0.00 +0.094 C ATOM 35 C LIG 1 -8.579 3.259 -0.896 0.00 0.00 +0.252 C ATOM 36 F LIG 1 -9.809 2.988 -1.411 0.00 0.00 -0.206 F ATOM 37 F LIG 1 -8.457 4.614 -0.930 0.00 0.00 -0.206 F ATOM 38 C LIG 1 -7.519 2.663 -1.800 0.00 0.00 +0.094 C ATOM 39 C LIG 1 -7.249 1.221 -1.408 0.00 0.00 +0.112 C ENDBRANCH 29 32 ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6