REMARK Name = BDB027287 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.520 1.236 -0.136 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.416 1.010 0.925 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.432 1.954 1.177 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.557 3.086 0.372 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.719 3.302 -0.664 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.734 2.395 -0.882 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.602 4.113 0.573 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.112 4.423 1.847 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.098 5.397 2.003 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.562 5.664 3.232 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.594 6.085 0.905 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.543 7.018 1.062 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -6.107 5.811 -0.365 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -5.118 4.835 -0.525 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 1.937 1.001 -0.334 0.00 0.00 +0.092 C ATOM 16 C LIG 1 0.710 0.414 0.418 0.00 0.00 +0.134 C ATOM 17 N LIG 1 -0.505 0.331 -0.412 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -0.367 -0.194 -1.773 0.00 0.00 +0.105 C ATOM 19 C LIG 1 0.785 0.452 -2.534 0.00 0.00 +0.021 C ATOM 20 C LIG 1 2.087 0.385 -1.732 0.00 0.00 +0.033 C BRANCH 15 21 ATOM 21 N LIG 1 1.742 2.474 -0.548 0.00 0.00 -0.318 NA ATOM 22 H LIG 1 1.642 2.906 0.376 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 2.614 2.871 -0.903 0.00 0.00 +0.119 HD ENDBRANCH 15 21 BRANCH 15 24 ATOM 24 C LIG 1 3.170 0.842 0.603 0.00 0.00 +0.158 C ATOM 25 O LIG 1 3.461 1.770 1.376 0.00 0.00 -0.295 OA BRANCH 24 28 ATOM 26 C LIG 1 5.030 -1.905 -1.044 0.00 0.00 +0.119 C ATOM 27 C LIG 1 5.074 -0.469 -0.510 0.00 0.00 +0.042 C ATOM 28 C LIG 1 4.048 -0.409 0.628 0.00 0.00 +0.060 C ATOM 29 C LIG 1 3.381 -1.780 0.677 0.00 0.00 +0.014 C ATOM 30 C LIG 1 4.443 -2.710 0.112 0.00 0.00 +0.032 C BRANCH 26 32 ATOM 31 C LIG 1 6.369 -3.575 -2.067 0.00 0.00 +0.194 C ATOM 32 O LIG 1 6.340 -2.318 -1.403 0.00 0.00 -0.380 OA ENDBRANCH 26 32 ENDBRANCH 24 28 ENDBRANCH 15 24 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 -2.328 -0.211 1.815 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 -2.351 -1.472 1.092 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -1.490 -2.519 1.286 0.00 0.00 +0.166 A ATOM 36 C LIG 1 -1.886 -3.476 0.365 0.00 0.00 +0.147 A ATOM 37 C LIG 1 -1.133 -4.661 0.327 0.00 0.00 +0.147 A ATOM 38 N LIG 1 -0.110 -4.807 1.199 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 0.152 -3.795 2.054 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -2.991 -3.052 -0.344 0.00 0.00 -0.231 NA ATOM 41 N LIG 1 -0.476 -2.608 2.165 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 -3.247 -1.847 0.124 0.00 0.00 +0.202 A BRANCH 37 43 ATOM 43 N LIG 1 -1.402 -5.704 -0.552 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -2.350 -5.683 -0.912 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -1.056 -6.589 -0.203 0.00 0.00 +0.144 HD ENDBRANCH 37 43 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 9