REMARK Name = BDB030609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.936 -0.699 -0.620 0.00 0.00 +0.051 C ATOM 2 C LIG 1 2.613 0.741 -0.941 0.00 0.00 +0.021 C ATOM 3 C LIG 1 1.381 1.100 -1.703 0.00 0.00 +0.112 C ATOM 4 N LIG 1 0.281 0.698 -0.844 0.00 0.00 -0.296 N ATOM 5 C LIG 1 -1.025 0.875 -1.276 0.00 0.00 +0.266 C ATOM 6 O LIG 1 -1.257 1.350 -2.391 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.709 0.165 0.445 0.00 0.00 +0.112 C ATOM 8 C LIG 1 2.203 0.170 0.375 0.00 0.00 +0.021 C ENDROOT BRANCH 1 13 ATOM 9 C LIG 1 7.877 -1.018 0.798 0.00 0.00 +0.089 C ATOM 10 C LIG 1 6.500 -1.159 0.296 0.00 0.00 +0.134 A ATOM 11 O LIG 1 6.206 -2.325 -0.341 0.00 0.00 -0.360 OA ATOM 12 N LIG 1 4.883 -2.304 -0.751 0.00 0.00 -0.083 NA ATOM 13 C LIG 1 4.407 -1.122 -0.350 0.00 0.00 +0.088 A ATOM 14 C LIG 1 5.384 -0.358 0.316 0.00 0.00 +0.071 A ENDBRANCH 1 13 BRANCH 5 15 ATOM 15 C LIG 1 -2.133 0.491 -0.384 0.00 0.00 +0.143 A ATOM 16 N LIG 1 -2.017 -0.006 0.906 0.00 0.00 -0.231 NA ATOM 17 C LIG 1 -3.244 -0.212 1.328 0.00 0.00 +0.200 A ATOM 18 N LIG 1 -4.163 0.129 0.378 0.00 0.00 -0.334 N ATOM 19 C LIG 1 -3.476 0.579 -0.713 0.00 0.00 +0.120 A BRANCH 18 20 ATOM 20 C LIG 1 -5.609 0.024 0.521 0.00 0.00 +0.082 C ATOM 21 C LIG 1 -6.205 -0.959 -0.486 0.00 0.00 +0.030 C ATOM 22 C LIG 1 -6.285 1.392 0.433 0.00 0.00 +0.030 C ENDBRANCH 18 20 ENDBRANCH 5 15 TORSDOF 3