REMARK Name = BDB021196 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.127 -0.480 0.193 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.444 -1.538 -0.476 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -0.937 -1.518 -0.432 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.381 -2.607 -1.148 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.239 -3.241 -1.580 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.670 -0.514 0.234 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -1.029 0.458 0.822 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.886 -2.575 -1.163 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.348 0.453 0.781 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.404 -0.060 0.316 0.00 0.00 +0.072 A ATOM 11 C LIG 1 4.655 0.066 1.482 0.00 0.00 +0.136 A ATOM 12 F LIG 1 5.247 0.313 2.659 0.00 0.00 -0.205 F ATOM 13 C LIG 1 3.266 -0.063 1.452 0.00 0.00 +0.047 A ATOM 14 C LIG 1 2.603 -0.331 0.244 0.00 0.00 -0.010 A ATOM 15 C LIG 1 3.370 -0.493 -0.921 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.763 -0.364 -0.888 0.00 0.00 +0.016 A BRANCH 10 19 ATOM 17 C LIG 1 8.928 1.204 0.977 0.00 0.00 +0.132 C ATOM 18 N LIG 1 7.485 1.196 0.810 0.00 0.00 -0.304 N ATOM 19 C LIG 1 6.875 0.036 0.337 0.00 0.00 +0.249 C ATOM 20 O LIG 1 7.499 -0.931 -0.096 0.00 0.00 -0.270 OA ATOM 21 C LIG 1 6.796 2.437 1.129 0.00 0.00 +0.132 C ENDBRANCH 10 19 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 -0.160 -4.431 -2.373 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -0.139 -5.396 -3.019 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.047 -0.591 0.235 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.459 -1.508 0.104 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.843 0.265 1.098 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.290 0.144 0.720 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -5.802 0.699 -0.449 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.115 1.435 -1.538 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.338 1.968 -2.286 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.478 1.132 -1.981 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.140 0.543 -0.791 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.024 -0.165 -0.002 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.536 -0.724 1.179 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.187 -0.568 1.527 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.750 -1.139 2.659 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 6