REMARK Name = BDB035326 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.973 -0.156 -1.284 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.647 -0.512 -1.005 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.328 0.468 -0.837 0.00 0.00 +0.141 A ATOM 4 N LIG 1 0.007 1.771 -0.972 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -1.261 2.148 -1.260 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.266 1.201 -1.420 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.678 0.112 -0.480 0.00 0.00 -0.266 N ATOM 8 C LIG 1 2.720 1.036 -0.802 0.00 0.00 +0.281 A ATOM 9 O LIG 1 2.618 2.084 -1.432 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 4.030 0.602 -0.359 0.00 0.00 +0.113 A ATOM 11 C LIG 1 4.308 -0.575 0.293 0.00 0.00 +0.018 A ATOM 12 C LIG 1 5.694 -0.623 0.539 0.00 0.00 +0.034 A ATOM 13 CA LIG 1 6.240 0.541 0.018 0.00 0.00 +0.043 A ATOM 14 C LIG 1 3.223 -1.448 0.578 0.00 0.00 +0.081 A ATOM 15 N LIG 1 5.210 1.279 -0.522 0.00 0.00 -0.352 N ATOM 16 H LIG 1 5.284 2.183 -0.976 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 1.976 -1.093 0.198 0.00 0.00 +0.109 A BRANCH 14 18 ATOM 18 C LIG 1 3.544 -2.714 1.313 0.00 0.00 +0.419 C ATOM 19 F LIG 1 2.438 -3.473 1.536 0.00 0.00 -0.166 F ATOM 20 F LIG 1 4.096 -2.480 2.532 0.00 0.00 -0.166 F ATOM 21 F LIG 1 4.413 -3.503 0.628 0.00 0.00 -0.166 F ENDBRANCH 14 18 BRANCH 13 22 ATOM 22 C LIG 1 7.644 1.023 -0.006 0.00 0.00 +0.208 C BRANCH 22 23 ATOM 23 O LIG 1 8.423 0.015 -0.628 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 7.951 -0.254 -1.434 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 13 22 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -3.307 -2.125 -0.408 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -3.024 -1.181 -1.421 0.00 0.00 -0.005 A ATOM 27 C LIG 1 -3.775 -1.261 -2.610 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.752 -2.246 -2.780 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -4.986 -3.170 -1.768 0.00 0.00 +0.124 A ATOM 30 F LIG 1 -5.918 -4.114 -1.941 0.00 0.00 -0.205 F ATOM 31 C LIG 1 -4.270 -3.125 -0.582 0.00 0.00 +0.052 A BRANCH 25 33 ATOM 32 O LIG 1 -1.765 -2.995 1.112 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 -2.583 -2.114 0.880 0.00 0.00 +0.247 C ATOM 34 N LIG 1 -2.865 -1.077 1.730 0.00 0.00 -0.292 N ATOM 35 C LIG 1 -4.054 -0.249 1.852 0.00 0.00 +0.146 C ATOM 36 C LIG 1 -3.486 0.214 3.206 0.00 0.00 +0.200 C ATOM 37 F LIG 1 -4.364 0.249 4.237 0.00 0.00 -0.242 F ATOM 38 C LIG 1 -2.547 -1.002 3.149 0.00 0.00 +0.146 C ENDBRANCH 25 33 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 -1.558 3.621 -1.407 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -0.998 4.605 -0.405 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -2.468 4.317 -0.419 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7