REMARK Name = BDB038535 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.893 0.618 -0.044 0.00 0.00 -0.248 N ATOM 2 C LIG 1 -0.101 -0.273 0.662 0.00 0.00 +0.253 C ATOM 3 O LIG 1 -0.300 -1.423 1.008 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.159 0.428 0.948 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.267 -0.035 1.634 0.00 0.00 +0.019 A ATOM 6 C LIG 1 3.362 0.827 1.766 0.00 0.00 -0.021 A ATOM 7 C LIG 1 3.296 2.130 1.212 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.161 2.587 0.515 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.092 1.704 0.396 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.232 1.891 -0.276 0.00 0.00 +0.151 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.974 1.302 -1.760 0.00 0.00 +0.121 A ATOM 12 N LIG 1 -2.722 1.417 -1.275 0.00 0.00 -0.217 NA ATOM 13 C LIG 1 -2.201 0.418 -0.525 0.00 0.00 +0.131 A ATOM 14 C LIG 1 -2.916 -0.738 -0.253 0.00 0.00 +0.054 A ATOM 15 C LIG 1 -4.207 -0.869 -0.760 0.00 0.00 +0.007 A ATOM 16 C LIG 1 -4.744 0.173 -1.512 0.00 0.00 +0.053 A BRANCH 15 17 ATOM 17 C LIG 1 -4.982 -2.085 -0.514 0.00 0.00 +0.079 A ATOM 18 N LIG 1 -4.645 -3.319 -1.032 0.00 0.00 -0.266 N ATOM 19 C LIG 1 -3.523 -3.637 -1.886 0.00 0.00 +0.173 C ATOM 20 N LIG 1 -5.498 -4.304 -0.687 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 -6.397 -3.686 0.078 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -6.135 -2.312 0.223 0.00 0.00 +0.064 A BRANCH 22 23 ATOM 23 C LIG 1 -6.930 -1.243 1.037 0.00 0.00 +0.167 A ATOM 24 N LIG 1 -8.063 -1.412 1.792 0.00 0.00 -0.316 N ATOM 25 C LIG 1 -8.806 -2.616 2.035 0.00 0.00 +0.152 C ATOM 26 C LIG 1 -8.374 -0.186 2.299 0.00 0.00 +0.225 A ATOM 27 N LIG 1 -7.495 0.694 1.890 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.587 0.030 1.101 0.00 0.00 -0.129 NA ENDBRANCH 22 23 ENDBRANCH 15 17 BRANCH 11 29 ATOM 29 N LIG 1 -4.546 2.342 -2.510 0.00 0.00 -0.329 N ATOM 30 H LIG 1 -4.947 1.956 -3.360 0.00 0.00 +0.147 HD BRANCH 29 32 ATOM 31 C LIG 1 -3.689 4.457 -1.591 0.00 0.00 +0.024 C ATOM 32 C LIG 1 -3.701 3.501 -2.775 0.00 0.00 +0.099 C ENDBRANCH 29 32 ENDBRANCH 11 29 ENDBRANCH 1 13 BRANCH 8 33 ATOM 33 C LIG 1 2.099 3.967 -0.081 0.00 0.00 +0.418 C ATOM 34 F LIG 1 1.908 3.936 -1.429 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.070 4.702 0.422 0.00 0.00 -0.166 F ATOM 36 F LIG 1 3.224 4.706 0.121 0.00 0.00 -0.166 F ENDBRANCH 8 33 BRANCH 6 37 ATOM 37 C LIG 1 4.596 0.383 2.516 0.00 0.00 +0.195 C BRANCH 37 38 ATOM 38 O LIG 1 5.781 0.684 1.779 0.00 0.00 -0.372 OA BRANCH 38 39 ATOM 39 C LIG 1 6.104 -0.276 0.761 0.00 0.00 +0.121 C ATOM 40 C LIG 1 7.084 0.388 -0.214 0.00 0.00 +0.047 C ATOM 41 C LIG 1 8.531 0.102 0.178 0.00 0.00 +0.086 C ATOM 42 N LIG 1 8.858 -1.331 0.203 0.00 0.00 -0.305 NA ATOM 43 C LIG 1 9.581 -1.754 -0.993 0.00 0.00 +0.104 C ATOM 44 C LIG 1 7.701 -2.200 0.452 0.00 0.00 +0.086 C ATOM 45 C LIG 1 6.695 -1.544 1.390 0.00 0.00 +0.047 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 9