REMARK Name = BDB057958 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.488 -0.250 0.107 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.577 -0.216 -0.771 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.387 -1.352 -0.938 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.066 -2.519 -0.222 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.990 -2.541 0.669 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.205 -1.403 0.844 0.00 0.00 +0.013 A ENDROOT BRANCH 1 11 ATOM 7 N LIG 1 4.607 0.987 -0.406 0.00 0.00 -0.311 N ATOM 8 C LIG 1 3.666 0.279 -1.307 0.00 0.00 +0.125 C ATOM 9 C LIG 1 2.390 -0.191 -0.585 0.00 0.00 +0.127 C ATOM 10 N LIG 1 1.689 0.917 0.086 0.00 0.00 -0.295 N ATOM 11 C LIG 1 0.317 0.979 0.288 0.00 0.00 +0.247 C ATOM 12 O LIG 1 -0.277 2.004 0.613 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 2.486 2.122 0.337 0.00 0.00 +0.127 C ATOM 14 C LIG 1 3.952 1.789 0.665 0.00 0.00 +0.125 C BRANCH 7 16 ATOM 15 C LIG 1 6.855 0.664 0.519 0.00 0.00 +0.092 A ATOM 16 C LIG 1 5.608 0.149 0.132 0.00 0.00 +0.139 A ATOM 17 N LIG 1 5.330 -1.173 0.271 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 6.274 -1.985 0.798 0.00 0.00 +0.113 A ATOM 19 C LIG 1 7.518 -1.550 1.210 0.00 0.00 +0.021 A ATOM 20 C LIG 1 7.812 -0.202 1.065 0.00 0.00 +0.024 A BRANCH 15 22 ATOM 21 N LIG 1 7.506 3.158 0.246 0.00 0.00 -0.191 NA ATOM 22 C LIG 1 7.194 2.044 0.346 0.00 0.00 +0.103 C ENDBRANCH 15 22 ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 3 23 ATOM 23 C LIG 1 -3.564 -1.337 -1.909 0.00 0.00 +0.318 C ATOM 24 F LIG 1 -3.093 -1.315 -3.198 0.00 0.00 -0.193 F ATOM 25 F LIG 1 -4.285 -2.505 -1.851 0.00 0.00 -0.193 F BRANCH 23 26 ATOM 26 C LIG 1 -4.497 -0.130 -1.652 0.00 0.00 +0.142 A ATOM 27 C LIG 1 -5.441 -0.157 -0.499 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -6.234 0.973 -0.300 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -7.143 1.035 0.765 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -7.261 -0.043 1.640 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.476 -1.177 1.448 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.117 2.114 -1.222 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -6.804 3.119 -1.090 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.199 1.977 -2.232 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.099 2.756 -2.876 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.569 -1.238 0.384 0.00 0.00 +0.011 A ATOM 37 N LIG 1 -4.403 0.898 -2.452 0.00 0.00 -0.169 NA ENDBRANCH 23 26 ENDBRANCH 3 23 TORSDOF 5