REMARK Name = BDB010329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.157 -0.128 0.374 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.859 -0.635 0.419 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.477 -1.470 1.457 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.784 -1.950 1.284 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.202 -1.440 0.148 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.264 -1.800 2.493 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -2.471 -1.226 2.404 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.291 -0.510 -0.330 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.942 -0.434 1.422 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.396 -1.534 3.517 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -2.972 -2.320 4.521 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -2.065 -2.746 4.617 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -3.992 -2.438 5.380 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -3.986 -3.081 6.417 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -5.054 -1.714 4.896 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.617 -1.132 3.662 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 5 17 ATOM 17 N LIG 1 2.364 -1.732 -0.509 0.00 0.00 -0.297 N ATOM 18 C LIG 1 3.428 -2.436 0.277 0.00 0.00 +0.082 C ATOM 19 C LIG 1 3.942 -3.541 -0.674 0.00 0.00 +0.024 C ATOM 20 C LIG 1 3.534 -3.085 -2.059 0.00 0.00 +0.021 C ATOM 21 C LIG 1 2.194 -2.426 -1.800 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 4.524 -1.446 0.801 0.00 0.00 -0.019 C ATOM 23 C LIG 1 3.898 -0.408 1.755 0.00 0.00 +0.012 C ATOM 24 C LIG 1 5.583 -2.219 1.619 0.00 0.00 +0.012 C ATOM 25 C LIG 1 5.239 -0.691 -0.333 0.00 0.00 +0.012 C ENDBRANCH 18 22 ENDBRANCH 5 17 BRANCH 1 26 ATOM 26 N LIG 1 -2.631 0.630 -0.675 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -2.152 0.463 -1.548 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -4.654 1.679 0.385 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -4.025 1.045 -0.854 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -4.962 -0.006 -1.474 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.467 -0.742 -2.749 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.214 -1.989 -1.884 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -5.187 -1.407 -0.845 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 0.547 0.467 -1.374 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.443 1.946 -0.944 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.541 2.856 -2.186 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.203 4.209 -1.917 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.906 4.770 -0.525 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -0.561 5.192 -0.392 0.00 0.00 +0.007 C ATOM 40 C LIG 1 1.312 3.781 0.581 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.488 2.334 0.105 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8