REMARK Name = BDB010332 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.776 -0.627 0.644 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.462 -0.200 0.739 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.349 -1.309 0.618 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -0.535 -2.331 0.322 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.170 -3.594 0.049 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.162 -3.746 0.079 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.098 -2.820 0.360 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.717 -1.563 0.660 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.827 -1.903 0.339 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.643 -5.112 -0.226 0.00 0.00 +0.220 A ATOM 11 N LIG 1 0.750 -6.070 -0.527 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -0.251 -5.973 -0.575 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.444 -7.192 -0.753 0.00 0.00 +0.440 A ATOM 14 O LIG 1 0.975 -8.278 -1.053 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 2.780 -6.918 -0.589 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.868 -5.531 -0.240 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -3.994 0.089 -0.116 0.00 0.00 +0.102 C ATOM 18 N LIG 1 -2.830 0.217 0.801 0.00 0.00 -0.296 N ATOM 19 C LIG 1 -3.069 0.790 2.137 0.00 0.00 +0.108 C ATOM 20 C LIG 1 -4.502 0.577 2.612 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -5.528 1.134 1.627 0.00 0.00 +0.003 C ATOM 22 C LIG 1 -4.987 1.222 0.201 0.00 0.00 +0.025 C BRANCH 17 23 ATOM 23 C LIG 1 -4.658 -1.311 -0.118 0.00 0.00 +0.181 C BRANCH 23 25 ATOM 24 C LIG 1 -6.557 -2.548 -0.772 0.00 0.00 +0.194 C ATOM 25 O LIG 1 -5.947 -1.264 -0.745 0.00 0.00 -0.381 OA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 2.658 -0.595 0.979 0.00 0.00 -0.324 N ATOM 27 H LIG 1 2.361 0.009 1.735 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 4.067 -0.992 1.067 0.00 0.00 +0.072 C ATOM 29 C LIG 1 4.347 -1.620 2.436 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 4.936 0.269 0.901 0.00 0.00 +0.009 C ATOM 31 C LIG 1 6.451 0.050 0.627 0.00 0.00 +0.005 C ATOM 32 C LIG 1 6.147 0.183 -0.876 0.00 0.00 +0.001 C ATOM 33 C LIG 1 4.878 0.964 -0.490 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -0.010 1.181 0.793 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.559 1.705 -0.542 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.274 3.058 -0.341 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.372 4.244 -0.668 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -0.108 4.222 -2.131 0.00 0.00 -0.014 C ATOM 39 C LIG 1 0.771 5.101 -3.021 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.184 2.796 -2.705 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.539 1.784 -1.623 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 9