REMARK Name = BDB031878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.782 2.312 1.014 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.403 1.196 1.785 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.162 0.599 1.539 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.729 1.060 0.581 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.849 0.172 0.656 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.675 -0.739 1.618 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.369 2.188 -0.179 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.454 -0.482 2.104 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.098 -1.083 2.838 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.876 2.795 0.054 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.343 -1.218 -0.665 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.924 0.099 -0.425 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.600 0.871 0.508 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.432 2.281 1.001 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.114 2.987 1.248 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.567 2.463 1.983 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.254 1.263 2.037 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.065 1.126 2.620 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.808 3.485 2.602 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.999 3.389 0.085 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.702 0.315 1.173 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.146 -0.973 0.960 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.448 -1.747 0.027 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 3.929 -3.242 -1.849 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.596 -1.883 -1.601 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.949 0.326 -0.122 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.918 1.059 -0.817 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.837 -0.690 -0.539 0.00 0.00 +0.132 A ATOM 29 C LIG 1 -5.139 -0.361 -0.862 0.00 0.00 +0.027 A ATOM 30 C LIG 1 -5.789 0.982 -0.751 0.00 0.00 +0.079 C ATOM 31 S LIG 1 -7.418 0.827 -1.590 0.00 0.00 -0.147 S ATOM 32 C LIG 1 -7.351 -0.995 -1.683 0.00 0.00 +0.125 C ATOM 33 C LIG 1 -6.017 1.414 0.695 0.00 0.00 +0.024 C ATOM 34 C LIG 1 -5.948 -1.387 -1.320 0.00 0.00 +0.061 A ATOM 35 N LIG 1 -5.544 -2.661 -1.440 0.00 0.00 -0.236 NA ATOM 36 C LIG 1 -4.273 -2.898 -1.075 0.00 0.00 +0.128 A ATOM 37 C LIG 1 -3.763 -4.299 -1.200 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -3.405 -1.960 -0.654 0.00 0.00 -0.217 NA ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 4