REMARK Name = BDB063405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.022 -0.159 -0.097 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.946 -0.993 -0.750 0.00 0.00 +0.024 A ATOM 3 C LIG 1 3.229 -0.546 -1.088 0.00 0.00 +0.015 A ATOM 4 C LIG 1 3.619 0.758 -0.770 0.00 0.00 +0.037 A ATOM 5 C LIG 1 2.707 1.606 -0.139 0.00 0.00 +0.015 A ATOM 6 C LIG 1 1.426 1.147 0.197 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.969 1.290 -1.107 0.00 0.00 +0.250 C ATOM 8 N LIG 1 5.988 0.363 -1.139 0.00 0.00 -0.252 N ATOM 9 H LIG 1 5.856 -0.605 -0.884 0.00 0.00 +0.158 HD ATOM 10 O LIG 1 5.115 2.494 -1.312 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 7.277 0.700 -1.458 0.00 0.00 +0.201 A ATOM 12 N LIG 1 7.683 1.961 -1.801 0.00 0.00 -0.326 N ATOM 13 H LIG 1 7.063 2.762 -1.838 0.00 0.00 +0.169 HD ATOM 14 C LIG 1 9.027 1.925 -2.061 0.00 0.00 +0.068 A ATOM 15 C LIG 1 9.381 0.588 -1.869 0.00 0.00 +0.103 A ATOM 16 C LIG 1 10.725 0.217 -2.064 0.00 0.00 +0.064 A ATOM 17 C LIG 1 11.657 1.202 -2.445 0.00 0.00 +0.015 A ATOM 18 C LIG 1 11.262 2.530 -2.626 0.00 0.00 +0.003 A ATOM 19 C LIG 1 9.933 2.920 -2.437 0.00 0.00 +0.028 A ATOM 20 N LIG 1 8.278 -0.144 -1.476 0.00 0.00 -0.214 NA BRANCH 16 21 ATOM 21 C LIG 1 11.148 -1.187 -1.891 0.00 0.00 +0.244 C ATOM 22 O LIG 1 10.490 -2.139 -2.284 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 12.349 -1.379 -1.257 0.00 0.00 -0.325 N ATOM 24 H LIG 1 12.762 -0.651 -0.690 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 12.561 -2.338 -1.014 0.00 0.00 +0.145 HD ENDBRANCH 16 21 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 N LIG 1 -0.240 -0.674 0.210 0.00 0.00 -0.284 N ATOM 27 H LIG 1 -0.422 -1.634 -0.042 0.00 0.00 +0.155 HD BRANCH 26 30 ATOM 28 C LIG 1 -3.543 -0.613 1.522 0.00 0.00 +0.130 A ATOM 29 N LIG 1 -2.398 -1.024 0.938 0.00 0.00 -0.199 NA ATOM 30 C LIG 1 -1.372 -0.161 0.839 0.00 0.00 +0.221 A ATOM 31 N LIG 1 -1.419 1.093 1.302 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 -2.555 1.480 1.900 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -3.648 0.665 2.040 0.00 0.00 +0.064 A BRANCH 28 34 ATOM 34 N LIG 1 -4.643 -1.505 1.657 0.00 0.00 -0.288 N ATOM 35 C LIG 1 -4.373 -2.846 1.125 0.00 0.00 +0.137 C BRANCH 34 43 ATOM 36 C LIG 1 -10.883 0.648 0.255 0.00 0.00 +0.066 C ATOM 37 C LIG 1 -9.972 -0.190 1.072 0.00 0.00 +0.044 A ATOM 38 N LIG 1 -10.411 -1.001 2.094 0.00 0.00 -0.270 N ATOM 39 C LIG 1 -11.776 -1.173 2.537 0.00 0.00 +0.172 C ATOM 40 N LIG 1 -9.433 -1.679 2.728 0.00 0.00 -0.171 NA ATOM 41 C LIG 1 -8.301 -1.324 2.102 0.00 0.00 +0.095 A ATOM 42 C LIG 1 -6.978 -1.730 2.340 0.00 0.00 +0.053 A ATOM 43 C LIG 1 -6.016 -1.143 1.478 0.00 0.00 +0.037 A ATOM 44 C LIG 1 -6.389 -0.213 0.441 0.00 0.00 +0.024 A ATOM 45 C LIG 1 -7.710 0.212 0.181 0.00 0.00 +0.013 A ATOM 46 C LIG 1 -8.613 -0.386 1.054 0.00 0.00 +0.023 A ENDBRANCH 34 43 ENDBRANCH 28 34 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 7