REMARK Name = BDB063423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.930 0.700 0.663 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -0.767 1.414 1.358 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 1.737 -2.230 -2.077 0.00 0.00 +0.066 C ATOM 4 C LIG 1 1.631 -1.150 -1.044 0.00 0.00 +0.045 A ATOM 5 N LIG 1 0.398 -0.753 -0.687 0.00 0.00 -0.219 NA ATOM 6 C LIG 1 0.301 0.218 0.226 0.00 0.00 +0.221 A ATOM 7 N LIG 1 1.366 0.806 0.794 0.00 0.00 -0.199 NA ATOM 8 C LIG 1 2.606 0.403 0.446 0.00 0.00 +0.131 A ATOM 9 C LIG 1 2.769 -0.595 -0.498 0.00 0.00 +0.067 A BRANCH 8 10 ATOM 10 N LIG 1 3.728 1.021 1.054 0.00 0.00 -0.288 N ATOM 11 C LIG 1 3.444 2.332 1.644 0.00 0.00 +0.137 C BRANCH 10 12 ATOM 12 C LIG 1 5.098 0.734 0.816 0.00 0.00 +0.037 A ATOM 13 C LIG 1 5.946 1.708 0.230 0.00 0.00 +0.053 A ATOM 14 C LIG 1 7.276 1.294 0.046 0.00 0.00 +0.095 A ATOM 15 C LIG 1 7.707 -0.023 0.441 0.00 0.00 +0.023 A ATOM 16 C LIG 1 9.043 -0.123 0.139 0.00 0.00 +0.044 A ATOM 17 N LIG 1 9.350 1.097 -0.418 0.00 0.00 -0.270 N ATOM 18 C LIG 1 10.640 1.522 -0.914 0.00 0.00 +0.172 C ATOM 19 C LIG 1 10.039 -1.209 0.309 0.00 0.00 +0.066 C ATOM 20 C LIG 1 6.922 -1.011 1.022 0.00 0.00 +0.013 A ATOM 21 N LIG 1 8.316 1.960 -0.480 0.00 0.00 -0.171 NA ATOM 22 C LIG 1 5.592 -0.568 1.192 0.00 0.00 +0.024 A ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -2.259 0.393 0.363 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -2.648 -0.578 -0.562 0.00 0.00 +0.024 A ATOM 25 C LIG 1 -4.002 -0.840 -0.826 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -5.012 -0.128 -0.171 0.00 0.00 +0.017 A ATOM 27 C LIG 1 -4.629 0.843 0.762 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -3.277 1.099 1.021 0.00 0.00 +0.024 A BRANCH 26 29 ATOM 29 C LIG 1 -6.438 -0.365 -0.419 0.00 0.00 +0.139 A ATOM 30 N LIG 1 -6.932 -1.078 -1.488 0.00 0.00 -0.338 N ATOM 31 H LIG 1 -6.378 -1.504 -2.215 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 -8.302 -1.097 -1.421 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -8.604 -0.365 -0.278 0.00 0.00 +0.102 A ATOM 34 C LIG 1 -9.954 -0.190 0.085 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -10.946 -0.765 -0.732 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -10.606 -1.493 -1.875 0.00 0.00 +0.003 A ATOM 37 C LIG 1 -9.270 -1.675 -2.246 0.00 0.00 +0.028 A ATOM 38 N LIG 1 -7.439 0.081 0.321 0.00 0.00 -0.227 NA BRANCH 34 39 ATOM 39 C LIG 1 -10.356 0.572 1.290 0.00 0.00 +0.244 C ATOM 40 O LIG 1 -11.535 0.722 1.590 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 -9.362 1.103 2.058 0.00 0.00 -0.325 N ATOM 42 H LIG 1 -8.383 0.970 1.815 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 -9.605 1.618 2.891 0.00 0.00 +0.145 HD ENDBRANCH 34 39 ENDBRANCH 26 29 ENDBRANCH 1 23 TORSDOF 6