REMARK Name = BDB058657 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.007 0.299 0.577 0.00 0.00 +0.223 A ATOM 2 N LIG 1 0.512 -0.927 0.484 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 -0.783 -1.054 0.209 0.00 0.00 +0.223 A ATOM 4 N LIG 1 -1.581 -0.008 0.040 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.009 1.188 0.134 0.00 0.00 +0.170 A ATOM 6 N LIG 1 0.272 1.391 0.405 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 2.525 -1.323 2.568 0.00 0.00 +0.030 C ATOM 8 C LIG 1 3.183 -0.582 1.407 0.00 0.00 +0.099 C ATOM 9 N LIG 1 2.370 0.503 0.806 0.00 0.00 -0.292 N ATOM 10 C LIG 1 2.961 1.055 -0.443 0.00 0.00 +0.136 C ATOM 11 C LIG 1 4.412 0.589 -0.639 0.00 0.00 +0.179 C ATOM 12 O LIG 1 4.537 -0.842 -0.670 0.00 0.00 -0.376 OA ATOM 13 C LIG 1 3.726 -1.517 0.312 0.00 0.00 +0.182 C ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 N LIG 1 -1.324 -2.324 0.124 0.00 0.00 -0.295 N ATOM 15 C LIG 1 -2.608 -2.511 -0.564 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -2.453 -3.532 -1.704 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -1.986 -4.819 -1.271 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 -1.161 -4.765 -0.097 0.00 0.00 +0.179 C ATOM 19 C LIG 1 -0.384 -3.448 0.046 0.00 0.00 +0.136 C ENDBRANCH 3 14 BRANCH 5 20 ATOM 20 C LIG 1 -1.866 2.362 -0.038 0.00 0.00 +0.064 A ATOM 21 C LIG 1 -1.444 3.626 -0.446 0.00 0.00 +0.122 A ATOM 22 N LIG 1 -2.302 4.684 -0.553 0.00 0.00 -0.213 NA ATOM 23 C LIG 1 -3.591 4.480 -0.292 0.00 0.00 +0.213 A ATOM 24 N LIG 1 -4.098 3.318 0.109 0.00 0.00 -0.222 NA ATOM 25 C LIG 1 -3.228 2.291 0.217 0.00 0.00 +0.128 A BRANCH 21 26 ATOM 26 C LIG 1 0.001 3.899 -0.821 0.00 0.00 +0.390 C ATOM 27 F LIG 1 0.206 5.152 -1.332 0.00 0.00 -0.202 F ATOM 28 F LIG 1 0.476 3.052 -1.782 0.00 0.00 -0.202 F ENDBRANCH 21 26 BRANCH 23 29 ATOM 29 N LIG 1 -4.446 5.552 -0.401 0.00 0.00 -0.327 N ATOM 30 H LIG 1 -5.254 5.418 0.189 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 -3.935 6.418 -0.311 0.00 0.00 +0.145 HD ENDBRANCH 23 29 ENDBRANCH 5 20 TORSDOF 5