REMARK Name = BDB030938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.326 1.528 0.910 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -0.006 2.833 0.633 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -1.308 3.013 0.231 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -2.201 2.013 0.100 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -1.786 0.777 0.386 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -0.542 0.498 0.777 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.736 -1.462 0.069 0.00 0.00 +0.050 A ATOM 8 C LIG 1 4.831 -0.675 1.242 0.00 0.00 +0.100 A ATOM 9 C LIG 1 3.694 0.126 1.544 0.00 0.00 +0.061 A ATOM 10 C LIG 1 2.564 0.214 0.731 0.00 0.00 +0.010 A ATOM 11 C LIG 1 1.649 1.121 1.352 0.00 0.00 +0.026 A ATOM 12 C LIG 1 2.229 1.545 2.528 0.00 0.00 +0.093 A ATOM 13 C LIG 1 2.540 -0.520 -0.464 0.00 0.00 +0.012 A ATOM 14 N LIG 1 3.467 0.966 2.620 0.00 0.00 -0.360 N ATOM 15 H LIG 1 4.123 1.125 3.375 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 3.627 -1.337 -0.783 0.00 0.00 +0.025 A BRANCH 7 18 ATOM 17 C LIG 1 6.418 -3.312 0.324 0.00 0.00 +0.404 C ATOM 18 N LIG 1 5.709 -2.377 -0.386 0.00 0.00 -0.251 N ATOM 19 H LIG 1 5.716 -2.608 -1.371 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 7.200 -4.069 -0.239 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 6.828 -4.356 2.375 0.00 0.00 +0.282 C ATOM 22 O LIG 1 6.109 -3.364 1.642 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 C LIG 1 6.059 -0.573 2.111 0.00 0.00 +0.421 C ATOM 24 F LIG 1 5.971 -1.309 3.255 0.00 0.00 -0.166 F ATOM 25 F LIG 1 6.253 0.711 2.554 0.00 0.00 -0.166 F ATOM 26 F LIG 1 7.234 -0.906 1.512 0.00 0.00 -0.166 F ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 27 ATOM 27 C LIG 1 0.928 3.980 0.740 0.00 0.00 +0.421 C ATOM 28 F LIG 1 2.127 3.772 0.131 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.433 5.117 0.169 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.206 4.324 2.028 0.00 0.00 -0.166 F ENDBRANCH 2 27 BRANCH 5 31 ATOM 31 N LIG 1 -2.630 -0.308 0.290 0.00 0.00 -0.309 N ATOM 32 H LIG 1 -2.034 -1.127 0.344 0.00 0.00 +0.149 HD BRANCH 31 33 ATOM 33 C LIG 1 -3.659 -0.369 -0.746 0.00 0.00 +0.087 C ATOM 34 C LIG 1 -4.893 0.479 -0.401 0.00 0.00 +0.031 C ATOM 35 C LIG 1 -5.971 0.423 -1.513 0.00 0.00 -0.021 C ATOM 36 C LIG 1 -7.029 1.508 -1.238 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -6.685 -0.944 -1.510 0.00 0.00 +0.012 C ATOM 38 C LIG 1 -5.314 0.699 -2.889 0.00 0.00 +0.087 C ATOM 39 N LIG 1 -4.188 -0.189 -3.198 0.00 0.00 -0.314 NA ATOM 40 H LIG 1 -4.515 -1.154 -3.235 0.00 0.00 +0.122 HD ATOM 41 C LIG 1 -3.142 -0.064 -2.171 0.00 0.00 +0.103 C ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 7