REMARK Name = BDB021584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 0.668 1.131 0.00 0.00 +0.057 C ATOM 2 C LIG 1 -0.452 1.171 -0.267 0.00 0.00 +0.121 C ATOM 3 O LIG 1 -1.871 1.169 -0.408 0.00 0.00 -0.484 OA ATOM 4 C LIG 1 -2.576 0.035 -0.673 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -2.147 -1.269 -0.939 0.00 0.00 +0.079 A ATOM 6 C LIG 1 -3.141 -2.252 -1.171 0.00 0.00 +0.017 A ATOM 7 C LIG 1 -4.506 -1.958 -1.150 0.00 0.00 +0.006 A ATOM 8 C LIG 1 -4.934 -0.661 -0.887 0.00 0.00 -0.030 A ATOM 9 C LIG 1 -0.746 -1.801 -1.020 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.597 -3.021 -0.909 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 0.342 -0.971 -1.281 0.00 0.00 -0.291 N ATOM 12 C LIG 1 -3.960 0.318 -0.657 0.00 0.00 +0.051 A ATOM 13 C LIG 1 0.220 0.462 -1.452 0.00 0.00 +0.155 C ATOM 14 C LIG 1 -0.070 2.663 -0.343 0.00 0.00 +0.057 C ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 -6.407 -0.310 -0.872 0.00 0.00 +0.119 C BRANCH 15 16 ATOM 16 N LIG 1 -7.194 -1.163 0.035 0.00 0.00 -0.298 NA ATOM 17 C LIG 1 -8.634 -0.901 -0.103 0.00 0.00 +0.085 C ATOM 18 C LIG 1 -8.935 0.285 0.801 0.00 0.00 +0.017 C ATOM 19 C LIG 1 -7.812 0.296 1.828 0.00 0.00 +0.017 C ATOM 20 C LIG 1 -6.921 -0.880 1.453 0.00 0.00 +0.085 C ENDBRANCH 15 16 ENDBRANCH 8 15 BRANCH 11 21 ATOM 21 C LIG 1 1.648 -1.599 -1.546 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 C LIG 1 2.673 -1.585 -0.389 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 O LIG 1 2.060 -1.837 0.878 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 2.719 -1.556 1.542 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.486 -0.272 -0.307 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.442 -0.278 0.827 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 4.960 1.080 1.096 0.00 0.00 +0.120 C ATOM 28 C LIG 1 6.253 1.407 0.391 0.00 0.00 -0.030 A ATOM 29 C LIG 1 7.268 0.436 0.416 0.00 0.00 -0.042 A ATOM 30 C LIG 1 8.518 0.708 -0.141 0.00 0.00 +0.004 A ATOM 31 C LIG 1 8.749 1.946 -0.741 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.741 2.911 -0.774 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.929 -0.875 1.075 0.00 0.00 +0.051 C ATOM 34 C LIG 1 6.495 2.647 -0.203 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.513 -1.291 0.638 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 11 21 TORSDOF 7