REMARK Name = BDB020532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.725 3.546 0.431 0.00 0.00 +0.041 C ATOM 2 C LIG 1 2.849 2.814 -0.580 0.00 0.00 +0.171 C ATOM 3 N LIG 1 1.798 2.059 0.083 0.00 0.00 -0.318 N ATOM 4 C LIG 1 0.541 2.566 0.275 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.149 1.564 0.919 0.00 0.00 +0.094 A ATOM 6 N LIG 1 0.658 0.468 1.099 0.00 0.00 -0.232 NA ATOM 7 C LIG 1 0.198 3.918 -0.199 0.00 0.00 +0.163 C ATOM 8 N LIG 1 0.937 4.196 -1.424 0.00 0.00 -0.297 N ATOM 9 C LIG 1 0.406 5.241 -2.280 0.00 0.00 +0.132 C ATOM 10 C LIG 1 1.832 0.781 0.582 0.00 0.00 +0.114 A ATOM 11 C LIG 1 2.269 3.821 -1.577 0.00 0.00 +0.238 C ATOM 12 O LIG 1 2.989 4.293 -2.461 0.00 0.00 -0.273 OA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -1.537 1.608 1.338 0.00 0.00 +0.011 A ATOM 14 C LIG 1 -2.492 0.673 0.847 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -3.827 0.761 1.285 0.00 0.00 +0.072 A ATOM 16 N LIG 1 -4.790 -0.074 0.863 0.00 0.00 -0.246 NA ATOM 17 C LIG 1 -4.484 -1.045 -0.034 0.00 0.00 +0.083 A ATOM 18 C LIG 1 -3.197 -1.250 -0.514 0.00 0.00 +0.044 A ATOM 19 C LIG 1 -4.176 1.754 2.190 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.244 2.667 2.681 0.00 0.00 +0.003 A ATOM 21 C LIG 1 -2.207 -0.362 -0.071 0.00 0.00 +0.022 A ATOM 22 C LIG 1 -1.924 2.594 2.256 0.00 0.00 +0.011 A BRANCH 17 23 ATOM 23 C LIG 1 -5.623 -1.860 -0.404 0.00 0.00 +0.038 A ATOM 24 C LIG 1 -6.020 -2.174 -1.688 0.00 0.00 +0.118 A ATOM 25 N LIG 1 -7.164 -2.910 -1.563 0.00 0.00 -0.274 N ATOM 26 C LIG 1 -7.960 -3.466 -2.629 0.00 0.00 +0.172 C ATOM 27 N LIG 1 -7.545 -3.095 -0.286 0.00 0.00 -0.179 NA ATOM 28 C LIG 1 -6.630 -2.417 0.414 0.00 0.00 +0.144 A ENDBRANCH 17 23 BRANCH 18 29 ATOM 29 C LIG 1 -2.845 -2.361 -1.454 0.00 0.00 +0.374 C ATOM 30 F LIG 1 -3.179 -2.080 -2.746 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -1.506 -2.633 -1.486 0.00 0.00 -0.204 F ENDBRANCH 18 29 ENDBRANCH 5 13 BRANCH 10 32 ATOM 32 C LIG 1 3.023 -0.131 0.515 0.00 0.00 +0.058 C ATOM 33 C LIG 1 3.126 -1.011 1.763 0.00 0.00 +0.026 C ATOM 34 C LIG 1 4.368 -1.907 1.701 0.00 0.00 +0.085 C ATOM 35 N LIG 1 4.756 -2.291 0.333 0.00 0.00 -0.297 NA ATOM 36 C LIG 1 3.589 -2.389 -0.547 0.00 0.00 +0.085 C ATOM 37 C LIG 1 2.965 -1.005 -0.750 0.00 0.00 +0.026 C BRANCH 35 38 ATOM 38 C LIG 1 5.556 -3.537 0.306 0.00 0.00 +0.156 C BRANCH 38 39 ATOM 39 C LIG 1 6.888 -3.510 1.070 0.00 0.00 +0.355 C ATOM 40 F LIG 1 7.749 -2.631 0.497 0.00 0.00 -0.208 F ATOM 41 F LIG 1 7.476 -4.734 0.984 0.00 0.00 -0.208 F ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 10 32 TORSDOF 6