REMARK Name = BDB061177 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.979 -0.422 -0.460 0.00 0.00 +0.097 A ATOM 2 C LIG 1 1.157 -1.179 -1.329 0.00 0.00 +0.186 A ATOM 3 N LIG 1 -0.188 -1.202 -1.058 0.00 0.00 -0.252 N ATOM 4 C LIG 1 -0.740 -1.965 -2.046 0.00 0.00 +0.232 A ATOM 5 N LIG 1 0.202 -2.403 -2.853 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.766 -0.531 0.029 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.002 0.170 0.820 0.00 0.00 -0.222 NA ATOM 8 N LIG 1 1.405 -1.905 -2.400 0.00 0.00 -0.128 NA ATOM 9 C LIG 1 1.361 0.209 0.557 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 4.345 0.234 -0.089 0.00 0.00 +0.220 C ATOM 11 N LIG 1 3.324 -0.414 -0.759 0.00 0.00 -0.281 N ATOM 12 H LIG 1 3.575 -0.955 -1.585 0.00 0.00 +0.155 HD ATOM 13 O LIG 1 4.212 0.916 0.920 0.00 0.00 -0.275 OA BRANCH 10 14 ATOM 14 C LIG 1 5.691 -0.015 -0.735 0.00 0.00 +0.124 C BRANCH 14 15 ATOM 15 C LIG 1 6.792 0.799 -0.069 0.00 0.00 +0.168 C BRANCH 15 17 ATOM 16 C LIG 1 8.757 -0.518 -0.307 0.00 0.00 +0.194 C ATOM 17 O LIG 1 8.034 0.622 -0.755 0.00 0.00 -0.382 OA ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 11 BRANCH 6 18 ATOM 18 N LIG 1 -2.128 -0.625 0.225 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -2.602 -1.440 -0.149 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.740 -0.137 1.450 0.00 0.00 +0.143 C BRANCH 20 21 ATOM 21 C LIG 1 -4.231 -0.103 1.279 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -4.869 0.870 0.515 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -4.299 1.983 -0.282 0.00 0.00 +0.080 C ATOM 24 C LIG 1 -5.583 2.764 -0.567 0.00 0.00 +0.234 C ATOM 25 O LIG 1 -6.714 1.870 -0.452 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 -6.247 0.857 0.343 0.00 0.00 +0.124 A ATOM 27 C LIG 1 -7.051 -0.112 0.910 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -6.435 -1.095 1.684 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -5.045 -1.084 1.860 0.00 0.00 +0.129 A ATOM 30 F LIG 1 -4.486 -2.060 2.591 0.00 0.00 -0.205 F ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 6 18 TORSDOF 7