REMARK Name = BDB047104 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.077 -0.622 0.531 0.00 0.00 +0.080 A ATOM 2 C LIG 1 0.539 -0.080 1.712 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.843 -0.047 1.919 0.00 0.00 +0.048 A ATOM 4 C LIG 1 -1.713 -0.558 0.948 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -1.201 -1.107 -0.232 0.00 0.00 +0.068 A ATOM 6 C LIG 1 0.190 -1.137 -0.433 0.00 0.00 +0.044 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -2.066 -1.647 -1.226 0.00 0.00 -0.220 N ATOM 8 N LIG 1 -1.592 -2.228 -2.354 0.00 0.00 -0.060 NA ATOM 9 N LIG 1 -2.618 -2.675 -3.068 0.00 0.00 -0.133 NA ATOM 10 C LIG 1 -3.768 -2.348 -2.407 0.00 0.00 +0.100 A ATOM 11 C LIG 1 -3.439 -1.698 -1.239 0.00 0.00 +0.141 A BRANCH 10 12 ATOM 12 C LIG 1 -5.103 -2.701 -2.982 0.00 0.00 +0.162 C BRANCH 12 13 ATOM 13 N LIG 1 -6.285 -2.364 -2.200 0.00 0.00 -0.322 N ATOM 14 H LIG 1 -6.422 -2.969 -1.396 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 -6.713 -1.104 -2.025 0.00 0.00 +0.141 A ATOM 16 N LIG 1 -7.402 -0.737 -0.946 0.00 0.00 -0.159 NA ATOM 17 N LIG 1 -7.671 0.565 -1.151 0.00 0.00 -0.280 N ATOM 18 H LIG 1 -8.213 1.057 -0.450 0.00 0.00 +0.189 HD ATOM 19 C LIG 1 -7.141 1.057 -2.310 0.00 0.00 +0.035 A ATOM 20 C LIG 1 -7.286 2.476 -2.717 0.00 0.00 +0.065 C ATOM 21 C LIG 1 -6.516 -0.019 -2.908 0.00 0.00 +0.067 A ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 5 7 BRANCH 1 24 ATOM 22 N LIG 1 3.398 -0.113 1.129 0.00 0.00 -0.281 N ATOM 23 H LIG 1 2.944 0.343 1.918 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 2.547 -0.705 0.216 0.00 0.00 +0.252 C ATOM 25 O LIG 1 2.892 -1.256 -0.826 0.00 0.00 -0.270 OA BRANCH 22 28 ATOM 26 C LIG 1 6.833 0.881 2.065 0.00 0.00 +0.061 A ATOM 27 C LIG 1 5.437 0.745 2.056 0.00 0.00 +0.038 A ATOM 28 C LIG 1 4.806 -0.051 1.090 0.00 0.00 +0.034 A ATOM 29 C LIG 1 5.588 -0.729 0.157 0.00 0.00 +0.023 A ATOM 30 C LIG 1 6.980 -0.617 0.175 0.00 0.00 +0.003 A ATOM 31 C LIG 1 7.601 0.189 1.119 0.00 0.00 +0.015 A BRANCH 26 32 ATOM 32 C LIG 1 7.545 1.770 3.020 0.00 0.00 +0.339 C ATOM 33 O LIG 1 8.761 1.868 3.071 0.00 0.00 -0.245 OA BRANCH 32 35 ATOM 34 C LIG 1 7.282 3.417 4.649 0.00 0.00 +0.280 C ATOM 35 O LIG 1 6.665 2.460 3.785 0.00 0.00 -0.464 OA ENDBRANCH 32 35 ENDBRANCH 26 32 ENDBRANCH 22 28 ENDBRANCH 1 24 BRANCH 2 36 ATOM 36 O LIG 1 1.356 0.431 2.688 0.00 0.00 -0.506 OA ATOM 37 H LIG 1 0.807 0.716 3.446 0.00 0.00 +0.292 HD ENDBRANCH 2 36 TORSDOF 9