REMARK Name = BDB052507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.163 1.663 0.366 0.00 0.00 +0.136 A ATOM 2 C LIG 1 0.347 2.893 0.011 0.00 0.00 +0.113 A ATOM 3 C LIG 1 1.706 2.935 -0.201 0.00 0.00 +0.130 A ATOM 4 N LIG 1 2.518 1.871 -0.084 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 1.955 0.714 0.275 0.00 0.00 +0.221 A ATOM 6 N LIG 1 0.639 0.589 0.511 0.00 0.00 -0.199 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -0.472 4.128 -0.084 0.00 0.00 +0.422 C ATOM 8 F LIG 1 -0.840 4.621 1.133 0.00 0.00 -0.166 F ATOM 9 F LIG 1 -1.622 3.978 -0.796 0.00 0.00 -0.166 F ATOM 10 F LIG 1 0.191 5.155 -0.696 0.00 0.00 -0.166 F ENDBRANCH 2 7 BRANCH 1 11 ATOM 11 N LIG 1 -1.535 1.527 0.636 0.00 0.00 -0.324 N ATOM 12 H LIG 1 -2.072 1.846 -0.186 0.00 0.00 +0.148 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.969 0.174 0.977 0.00 0.00 +0.141 C BRANCH 13 15 ATOM 14 C LIG 1 -4.408 -0.333 0.434 0.00 0.00 +0.144 A ATOM 15 C LIG 1 -3.442 0.195 1.288 0.00 0.00 +0.011 A ATOM 16 C LIG 1 -3.896 0.772 2.482 0.00 0.00 +0.010 A ATOM 17 C LIG 1 -5.255 0.794 2.776 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -6.127 0.239 1.857 0.00 0.00 +0.113 A ATOM 19 N LIG 1 -5.736 -0.316 0.690 0.00 0.00 -0.239 NA BRANCH 14 21 ATOM 20 C LIG 1 -4.724 -2.142 -1.195 0.00 0.00 +0.159 C ATOM 21 N LIG 1 -4.078 -0.861 -0.849 0.00 0.00 -0.193 N BRANCH 21 22 ATOM 22 S LIG 1 -3.993 0.296 -2.083 0.00 0.00 +0.044 S ATOM 23 O LIG 1 -3.227 1.434 -1.611 0.00 0.00 -0.155 OA ATOM 24 O LIG 1 -3.589 -0.389 -3.296 0.00 0.00 -0.155 OA ATOM 25 C LIG 1 -5.686 0.819 -2.305 0.00 0.00 +0.218 C ENDBRANCH 21 22 ENDBRANCH 14 21 ENDBRANCH 13 15 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 26 ATOM 26 N LIG 1 2.694 -0.454 0.436 0.00 0.00 -0.284 N ATOM 27 H LIG 1 2.066 -1.200 0.694 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 4.046 -0.786 0.285 0.00 0.00 +0.034 A ATOM 29 C LIG 1 4.436 -2.115 0.547 0.00 0.00 +0.029 A ATOM 30 C LIG 1 5.767 -2.470 0.412 0.00 0.00 -0.016 A ATOM 31 C LIG 1 6.437 -3.794 0.625 0.00 0.00 +0.133 C ATOM 32 C LIG 1 7.901 -3.468 0.304 0.00 0.00 +0.222 C ATOM 33 N LIG 1 7.965 -2.123 -0.037 0.00 0.00 -0.285 N ATOM 34 H LIG 1 8.825 -1.661 -0.292 0.00 0.00 +0.155 HD ATOM 35 O LIG 1 8.844 -4.242 0.339 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 6.715 -1.530 0.025 0.00 0.00 +0.037 A ATOM 37 C LIG 1 6.385 -0.223 -0.239 0.00 0.00 +0.025 A ATOM 38 C LIG 1 5.038 0.142 -0.104 0.00 0.00 +0.025 A ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8