REMARK Name = BDB000136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.967 1.723 -0.194 0.00 0.00 +0.134 A ATOM 2 C LIG 1 0.337 1.551 0.314 0.00 0.00 +0.044 A ATOM 3 C LIG 1 1.354 2.170 -0.428 0.00 0.00 +0.080 A ATOM 4 C LIG 1 2.664 2.054 0.008 0.00 0.00 +0.078 A ATOM 5 C LIG 1 2.991 1.311 1.147 0.00 0.00 +0.164 A ATOM 6 C LIG 1 1.995 0.695 1.909 0.00 0.00 +0.162 A ATOM 7 N LIG 1 1.117 2.869 -1.541 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.155 2.949 -1.942 0.00 0.00 +0.223 A ATOM 9 C LIG 1 0.672 0.808 1.482 0.00 0.00 +0.062 A ATOM 10 N LIG 1 -1.209 2.404 -1.329 0.00 0.00 -0.220 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -2.065 1.166 0.516 0.00 0.00 -0.297 N ATOM 12 H LIG 1 -2.029 1.484 1.480 0.00 0.00 +0.154 HD BRANCH 11 16 ATOM 13 C LIG 1 -5.969 0.491 -0.712 0.00 0.00 +0.222 A ATOM 14 N LIG 1 -5.032 0.588 -1.668 0.00 0.00 -0.221 NA ATOM 15 C LIG 1 -3.765 0.832 -1.252 0.00 0.00 +0.139 A ATOM 16 C LIG 1 -3.386 1.003 0.066 0.00 0.00 +0.069 A ATOM 17 C LIG 1 -4.441 0.848 0.949 0.00 0.00 +0.139 A ATOM 18 N LIG 1 -5.721 0.609 0.594 0.00 0.00 -0.221 NA BRANCH 13 20 ATOM 19 C LIG 1 -8.377 0.047 -0.451 0.00 0.00 +0.219 C ATOM 20 N LIG 1 -7.238 0.226 -1.198 0.00 0.00 -0.255 N ATOM 21 H LIG 1 -7.260 0.146 -2.202 0.00 0.00 +0.158 HD ATOM 22 O LIG 1 -8.479 0.146 0.766 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 -9.575 -0.267 -1.339 0.00 0.00 +0.096 C BRANCH 23 24 ATOM 24 C LIG 1 -10.774 -0.862 -0.596 0.00 0.00 +0.009 C BRANCH 24 26 ATOM 25 C LIG 1 -9.601 -2.877 0.476 0.00 0.00 +0.004 C ATOM 26 C LIG 1 -10.716 -2.386 -0.433 0.00 0.00 -0.003 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 6 27 ATOM 27 O LIG 1 2.412 0.000 3.011 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 1.415 -0.452 3.919 0.00 0.00 +0.277 C ENDBRANCH 6 27 BRANCH 5 29 ATOM 29 O LIG 1 4.293 1.255 1.576 0.00 0.00 -0.488 OA BRANCH 29 30 ATOM 30 C LIG 1 5.147 0.544 0.665 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 6.356 1.425 0.364 0.00 0.00 +0.056 C BRANCH 31 32 ATOM 32 C LIG 1 7.295 0.880 -0.722 0.00 0.00 +0.088 C BRANCH 32 33 ATOM 33 N LIG 1 8.363 -0.007 -0.236 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 9.401 -0.236 -1.272 0.00 0.00 +0.112 C ATOM 35 C LIG 1 9.234 -1.570 -2.019 0.00 0.00 +0.175 C ATOM 36 O LIG 1 9.287 -2.715 -1.157 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 8.912 -2.416 0.195 0.00 0.00 +0.175 C ATOM 38 C LIG 1 7.860 -1.297 0.281 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 12