REMARK Name = BDB027715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.690 0.737 -0.026 0.00 0.00 +0.131 A ATOM 2 C LIG 1 -0.158 2.040 -0.081 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.235 2.127 -0.032 0.00 0.00 +0.095 A ATOM 4 C LIG 1 1.770 3.406 -0.073 0.00 0.00 +0.139 A ATOM 5 N LIG 1 1.065 4.565 -0.163 0.00 0.00 -0.261 NA ATOM 6 C LIG 1 -0.271 4.445 -0.228 0.00 0.00 +0.111 A ATOM 7 N LIG 1 2.031 1.052 0.047 0.00 0.00 -0.226 NA ATOM 8 C LIG 1 1.429 -0.138 0.063 0.00 0.00 +0.166 A ATOM 9 C LIG 1 -0.922 3.226 -0.190 0.00 0.00 +0.033 A ATOM 10 N LIG 1 0.104 -0.340 0.029 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 2.286 -1.305 0.130 0.00 0.00 +0.068 A ATOM 12 C LIG 1 3.708 -1.411 0.213 0.00 0.00 +0.176 A ATOM 13 N LIG 1 4.091 -2.708 0.254 0.00 0.00 -0.169 NA ATOM 14 N LIG 1 2.944 -3.399 0.196 0.00 0.00 -0.283 N ATOM 15 H LIG 1 2.992 -4.413 0.211 0.00 0.00 +0.188 HD ATOM 16 C LIG 1 1.838 -2.611 0.124 0.00 0.00 +0.117 A BRANCH 12 17 ATOM 17 C LIG 1 4.696 -0.273 0.255 0.00 0.00 +0.437 C ATOM 18 F LIG 1 5.988 -0.698 0.352 0.00 0.00 -0.164 F ATOM 19 F LIG 1 4.643 0.502 -0.863 0.00 0.00 -0.164 F ATOM 20 F LIG 1 4.495 0.549 1.322 0.00 0.00 -0.164 F ENDBRANCH 12 17 ENDBRANCH 8 11 BRANCH 1 21 ATOM 21 N LIG 1 -2.084 0.572 -0.050 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -2.482 1.140 0.695 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -2.326 -1.539 -1.359 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -2.728 -0.755 -0.101 0.00 0.00 +0.025 C ATOM 25 C LIG 1 -4.247 -0.483 -0.191 0.00 0.00 +0.031 C ATOM 26 C LIG 1 -2.469 -1.564 1.178 0.00 0.00 +0.031 C ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 4