REMARK Name = BDB008174 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.603 -0.414 0.146 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 1.791 0.257 0.208 0.00 0.00 +0.234 C ATOM 3 N LIG 1 0.699 -0.217 -0.485 0.00 0.00 -0.302 N ATOM 4 H LIG 1 0.828 -0.692 -1.375 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 1.691 0.689 1.354 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.118 0.254 -0.600 0.00 0.00 +0.161 C BRANCH 6 9 ATOM 7 C LIG 1 5.199 2.770 1.376 0.00 0.00 +0.109 C ATOM 8 C LIG 1 4.677 1.408 0.995 0.00 0.00 +0.211 C ATOM 9 N LIG 1 3.916 1.407 -0.156 0.00 0.00 -0.304 N ATOM 10 H LIG 1 3.548 2.307 -0.433 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 4.966 0.412 1.647 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 3.856 -1.110 -0.617 0.00 0.00 +0.012 C ATOM 13 C LIG 1 3.010 -2.237 -1.222 0.00 0.00 +0.009 C ATOM 14 C LIG 1 5.169 -1.019 -1.408 0.00 0.00 +0.009 C ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 -1.168 -1.740 -0.407 0.00 0.00 +0.234 C ATOM 16 N LIG 1 -2.236 -2.243 0.293 0.00 0.00 -0.300 N ATOM 17 H LIG 1 -2.539 -1.774 1.146 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -0.701 -2.272 -1.414 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 -2.958 -3.487 -0.020 0.00 0.00 +0.105 C ATOM 20 C LIG 1 -2.032 -4.705 0.078 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -3.629 -3.406 -1.396 0.00 0.00 +0.041 C BRANCH 19 22 ATOM 22 C LIG 1 -4.055 -3.591 1.079 0.00 0.00 +0.233 C ATOM 23 O LIG 1 -4.178 -2.748 1.969 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 -4.897 -4.662 1.040 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -4.853 -5.391 0.342 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 -5.607 -4.726 1.759 0.00 0.00 +0.145 HD ENDBRANCH 19 22 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 27 ATOM 27 C LIG 1 -1.569 0.737 -0.163 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 -1.142 2.063 0.470 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 -2.174 3.160 0.213 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 -1.722 4.404 0.819 0.00 0.00 -0.356 N ATOM 31 H LIG 1 -1.430 4.287 1.783 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 -2.418 5.549 0.630 0.00 0.00 +0.188 C ATOM 33 N LIG 1 -3.388 5.695 -0.193 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 -3.755 6.645 -0.129 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 -1.953 6.540 1.415 0.00 0.00 -0.370 N ATOM 36 H LIG 1 -0.945 6.506 1.521 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 -2.252 7.467 1.141 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13