REMARK Name = BDB042034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.266 -1.687 0.858 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.910 -1.223 0.280 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.016 -0.014 -0.545 0.00 0.00 +0.123 C ATOM 4 C LIG 1 -2.395 0.663 -0.417 0.00 0.00 +0.104 C ATOM 5 N LIG 1 -3.492 -0.240 -0.786 0.00 0.00 -0.287 NA ATOM 6 C LIG 1 -3.311 -1.615 -0.288 0.00 0.00 +0.104 C ATOM 7 C LIG 1 -2.177 -1.797 0.738 0.00 0.00 +0.123 C ATOM 8 O LIG 1 0.294 -2.504 1.775 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 9 N LIG 1 5.803 0.671 0.518 0.00 0.00 -0.282 N ATOM 10 C LIG 1 5.350 0.267 -0.725 0.00 0.00 +0.248 C ATOM 11 O LIG 1 5.931 0.301 -1.790 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 3.998 -0.270 -0.532 0.00 0.00 +0.042 A ATOM 13 C LIG 1 3.712 -0.238 0.832 0.00 0.00 -0.017 A ATOM 14 C LIG 1 2.492 -0.695 1.299 0.00 0.00 +0.019 A ATOM 15 C LIG 1 1.563 -1.173 0.360 0.00 0.00 +0.037 A ATOM 16 C LIG 1 1.880 -1.228 -1.015 0.00 0.00 +0.014 A ATOM 17 C LIG 1 3.114 -0.763 -1.475 0.00 0.00 +0.014 A ATOM 18 C LIG 1 4.882 0.299 1.584 0.00 0.00 +0.144 C BRANCH 9 25 ATOM 19 O LIG 1 10.075 1.125 -2.155 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 9.197 1.156 -1.296 0.00 0.00 +0.219 C ATOM 21 N LIG 1 9.098 0.152 -0.368 0.00 0.00 -0.255 N ATOM 22 H LIG 1 9.738 -0.618 -0.495 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 8.157 -0.009 0.617 0.00 0.00 +0.240 C ATOM 24 O LIG 1 8.107 -1.051 1.272 0.00 0.00 -0.273 OA ATOM 25 C LIG 1 7.156 1.128 0.819 0.00 0.00 +0.163 C ATOM 26 C LIG 1 7.575 2.434 0.150 0.00 0.00 +0.041 C ATOM 27 C LIG 1 8.181 2.268 -1.231 0.00 0.00 +0.098 C ENDBRANCH 9 25 ENDBRANCH 1 15 BRANCH 5 28 ATOM 28 C LIG 1 -4.846 0.345 -0.605 0.00 0.00 +0.136 C BRANCH 28 29 ATOM 29 C LIG 1 -5.953 -0.484 -1.296 0.00 0.00 +0.063 A ATOM 30 N LIG 1 -6.763 -1.287 -0.554 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -7.697 -2.016 -1.203 0.00 0.00 +0.111 A ATOM 32 C LIG 1 -7.867 -2.007 -2.575 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -7.025 -1.204 -3.333 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.055 -0.438 -2.691 0.00 0.00 +0.025 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -5.163 0.832 0.817 0.00 0.00 -0.024 A ATOM 36 C LIG 1 -5.414 -0.044 1.884 0.00 0.00 +0.005 A ATOM 37 C LIG 1 -5.668 0.440 3.171 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -5.675 1.810 3.414 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -5.433 2.699 2.371 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -5.180 2.215 1.085 0.00 0.00 +0.005 A ENDBRANCH 28 35 ENDBRANCH 5 28 TORSDOF 5