REMARK Name = BDB027486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.137 -0.332 -0.109 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.054 0.098 0.503 0.00 0.00 -0.003 A ATOM 3 C LIG 1 0.473 1.436 0.345 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -0.272 2.322 -0.428 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -1.401 1.918 -1.049 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.794 0.631 -0.879 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 0.109 3.735 -0.641 0.00 0.00 +0.003 A ATOM 8 C LIG 1 0.828 4.470 0.321 0.00 0.00 +0.051 A ATOM 9 C LIG 1 1.171 5.802 0.091 0.00 0.00 +0.159 A ATOM 10 F LIG 1 1.853 6.471 1.031 0.00 0.00 -0.202 F ATOM 11 C LIG 1 0.808 6.433 -1.090 0.00 0.00 +0.158 A ATOM 12 F LIG 1 1.140 7.713 -1.303 0.00 0.00 -0.202 F ATOM 13 C LIG 1 0.094 5.741 -2.057 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -0.253 4.405 -1.830 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 -1.724 -3.818 -1.036 0.00 0.00 +0.028 C ATOM 16 C LIG 1 -2.197 -2.360 -1.073 0.00 0.00 +0.071 C ATOM 17 N LIG 1 -1.610 -1.635 0.077 0.00 0.00 -0.324 N ATOM 18 C LIG 1 -2.259 -1.861 1.391 0.00 0.00 +0.124 C ATOM 19 C LIG 1 -3.788 -1.651 1.328 0.00 0.00 +0.068 C ATOM 20 C LIG 1 -4.389 -2.552 0.247 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -3.733 -2.279 -1.104 0.00 0.00 +0.024 C BRANCH 19 22 ATOM 22 N LIG 1 -4.429 -1.940 2.616 0.00 0.00 -0.326 NA ATOM 23 H LIG 1 -4.110 -1.269 3.315 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -5.436 -1.800 2.535 0.00 0.00 +0.119 HD ENDBRANCH 19 22 ENDBRANCH 1 17 BRANCH 2 25 ATOM 25 C LIG 1 0.950 -0.844 1.276 0.00 0.00 +0.161 C BRANCH 25 26 ATOM 26 N LIG 1 2.155 -1.152 0.529 0.00 0.00 -0.310 N ATOM 27 C LIG 1 3.397 -0.619 0.739 0.00 0.00 +0.166 A ATOM 28 C LIG 1 4.210 -1.241 -0.196 0.00 0.00 +0.147 A ATOM 29 C LIG 1 5.564 -0.864 -0.201 0.00 0.00 +0.147 A ATOM 30 N LIG 1 5.985 0.048 0.705 0.00 0.00 -0.219 NA ATOM 31 C LIG 1 5.076 0.575 1.554 0.00 0.00 +0.225 A ATOM 32 N LIG 1 3.491 -2.148 -0.949 0.00 0.00 -0.231 NA ATOM 33 N LIG 1 3.757 0.305 1.646 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 2.259 -2.061 -0.490 0.00 0.00 +0.202 A BRANCH 29 35 ATOM 35 N LIG 1 6.498 -1.399 -1.079 0.00 0.00 -0.341 N ATOM 36 H LIG 1 7.443 -1.320 -0.727 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 6.213 -2.285 -1.480 0.00 0.00 +0.144 HD ENDBRANCH 29 35 ENDBRANCH 25 26 ENDBRANCH 2 25 TORSDOF 6