REMARK Name = BDB027249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.779 1.146 0.241 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.841 0.952 -0.654 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.694 2.032 -0.948 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.481 3.276 -0.353 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.468 3.473 0.521 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.656 2.424 0.793 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.334 4.455 -0.613 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -3.552 5.413 0.397 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.353 6.529 0.166 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -4.543 7.417 1.152 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -4.951 6.720 -1.070 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -5.721 7.794 -1.292 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.751 5.801 -2.092 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.947 4.678 -1.864 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 2.355 -0.947 0.196 0.00 0.00 +0.041 C ATOM 16 C LIG 1 1.483 0.354 0.098 0.00 0.00 +0.127 C ATOM 17 N LIG 1 0.094 0.077 0.536 0.00 0.00 -0.327 N ATOM 18 C LIG 1 0.028 -0.317 1.959 0.00 0.00 +0.105 C ATOM 19 C LIG 1 0.842 -1.589 2.180 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.278 -1.453 1.659 0.00 0.00 +0.025 C BRANCH 15 21 ATOM 21 N LIG 1 1.803 -1.967 -0.724 0.00 0.00 -0.323 NA ATOM 22 H LIG 1 0.817 -2.121 -0.478 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 1.762 -1.602 -1.673 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.795 -0.566 -0.232 0.00 0.00 +0.119 C BRANCH 24 27 ATOM 25 C LIG 1 7.184 -2.286 -0.646 0.00 0.00 +0.131 C ATOM 26 N LIG 1 6.147 -1.266 -0.623 0.00 0.00 -0.308 N ATOM 27 C LIG 1 4.896 -1.618 -0.102 0.00 0.00 +0.217 C ATOM 28 O LIG 1 4.724 -2.696 0.464 0.00 0.00 -0.276 OA ATOM 29 C LIG 1 6.386 -0.099 -1.458 0.00 0.00 +0.131 C ENDBRANCH 24 27 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -2.091 -0.390 -1.302 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 -2.621 -1.373 -0.374 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -2.142 -2.641 -0.196 0.00 0.00 +0.166 A ATOM 33 C LIG 1 -2.967 -3.202 0.765 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -2.674 -4.518 1.157 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -1.634 -5.152 0.569 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 -0.911 -4.479 -0.353 0.00 0.00 +0.225 A ATOM 37 N LIG 1 -3.959 -2.316 1.139 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 -1.096 -3.222 -0.807 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 -3.720 -1.230 0.432 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 -3.412 -5.211 2.108 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.344 -4.837 2.244 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -3.313 -6.213 2.008 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8