REMARK Name = BDB030244 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.983 0.147 0.163 0.00 0.00 +0.051 C ATOM 2 C LIG 1 2.482 0.810 -1.100 0.00 0.00 +0.021 C ATOM 3 C LIG 1 1.230 1.623 -1.100 0.00 0.00 +0.112 C ATOM 4 N LIG 1 0.177 0.686 -0.746 0.00 0.00 -0.296 N ATOM 5 C LIG 1 -1.129 1.139 -0.628 0.00 0.00 +0.266 C ATOM 6 O LIG 1 -1.391 2.336 -0.770 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.638 -0.694 -0.635 0.00 0.00 +0.112 C ATOM 8 C LIG 1 2.119 -0.607 -0.820 0.00 0.00 +0.021 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 8.099 0.256 0.500 0.00 0.00 +0.089 C ATOM 10 C LIG 1 6.659 -0.039 0.417 0.00 0.00 +0.134 A ATOM 11 O LIG 1 6.310 -1.355 0.465 0.00 0.00 -0.360 OA ATOM 12 N LIG 1 4.929 -1.467 0.379 0.00 0.00 -0.083 NA ATOM 13 C LIG 1 4.485 -0.214 0.275 0.00 0.00 +0.088 A ATOM 14 C LIG 1 5.527 0.729 0.299 0.00 0.00 +0.071 A ENDBRANCH 1 13 BRANCH 5 15 ATOM 15 C LIG 1 -2.198 0.171 -0.329 0.00 0.00 +0.143 A ATOM 16 N LIG 1 -2.049 -1.199 -0.177 0.00 0.00 -0.231 NA ATOM 17 C LIG 1 -3.248 -1.670 0.076 0.00 0.00 +0.200 A ATOM 18 N LIG 1 -4.182 -0.675 0.096 0.00 0.00 -0.334 N ATOM 19 C LIG 1 -3.534 0.499 -0.160 0.00 0.00 +0.120 A BRANCH 18 20 ATOM 20 C LIG 1 -5.606 -0.854 0.346 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -6.447 -0.443 -0.863 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -6.053 -0.121 1.611 0.00 0.00 +0.030 C ENDBRANCH 18 20 ENDBRANCH 5 15 TORSDOF 3