REMARK Name = BDB014031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.612 -0.083 -0.834 0.00 0.00 +0.160 C ATOM 2 C LIG 1 1.154 -0.234 0.626 0.00 0.00 +0.240 C ATOM 3 O LIG 1 1.883 0.162 1.544 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.173 -0.620 0.835 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -0.519 -2.028 0.685 0.00 0.00 +0.040 A ATOM 6 C LIG 1 0.169 -2.916 -0.180 0.00 0.00 -0.026 A ATOM 7 C LIG 1 -0.185 -4.288 -0.207 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -1.222 -4.794 0.565 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.921 -3.935 1.389 0.00 0.00 +0.002 A ATOM 10 C LIG 1 1.293 -2.543 -1.119 0.00 0.00 +0.039 C ATOM 11 C LIG 1 -1.568 -2.582 1.446 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.120 -1.178 -1.759 0.00 0.00 +0.036 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.766 0.640 -1.835 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.075 0.018 -0.819 0.00 0.00 -0.303 N ATOM 15 H LIG 1 3.498 -0.025 0.104 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 3.210 0.985 -2.879 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 5.297 0.785 -1.610 0.00 0.00 +0.137 C ATOM 18 C LIG 1 5.658 1.376 -0.248 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 5.693 2.960 -2.711 0.00 0.00 +0.101 C ATOM 20 N LIG 1 5.918 1.519 -2.743 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 5.480 1.160 -3.597 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.845 0.200 1.866 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -2.321 0.542 1.634 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -2.798 1.096 0.403 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -4.189 1.329 0.247 0.00 0.00 -0.016 A ATOM 26 C LIG 1 -4.702 1.837 -0.959 0.00 0.00 +0.027 A ATOM 27 C LIG 1 -3.858 2.150 -2.025 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -2.488 1.967 -1.884 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -5.064 1.067 1.304 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.590 0.603 2.528 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -1.973 1.456 -0.687 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -3.230 0.354 2.707 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -4.399 2.670 -3.246 0.00 0.00 +0.099 C ATOM 34 N LIG 1 -4.843 3.092 -4.232 0.00 0.00 -0.191 NA ENDBRANCH 27 33 BRANCH 32 35 ATOM 35 O LIG 1 -2.692 -0.094 3.888 0.00 0.00 -0.495 OA ATOM 36 C LIG 1 -3.549 -0.193 5.019 0.00 0.00 +0.277 C ENDBRANCH 32 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 7