REMARK Name = BDB011502 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.878 -0.033 -1.202 0.00 0.00 +0.197 C ATOM 2 C LIG 1 1.441 -1.047 -0.126 0.00 0.00 +0.244 C ATOM 3 O LIG 1 2.080 -1.115 0.935 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.227 -1.712 -0.322 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.165 -2.219 -1.617 0.00 0.00 +0.079 A ATOM 6 C LIG 1 0.763 -2.409 -2.658 0.00 0.00 +0.142 A ATOM 7 C LIG 1 0.406 -3.014 -3.871 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -0.909 -3.406 -4.094 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -1.857 -3.200 -3.100 0.00 0.00 +0.002 A ATOM 10 O LIG 1 2.088 -2.068 -2.538 0.00 0.00 -0.488 OA ATOM 11 C LIG 1 -1.485 -2.619 -1.878 0.00 0.00 +0.027 A ATOM 12 C LIG 1 2.183 -0.643 -2.563 0.00 0.00 +0.261 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 3.418 1.919 -1.136 0.00 0.00 +0.230 C ATOM 14 N LIG 1 3.032 0.694 -0.653 0.00 0.00 -0.300 N ATOM 15 H LIG 1 3.434 0.308 0.198 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 2.895 2.403 -2.142 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 4.595 2.601 -0.382 0.00 0.00 +0.137 C ATOM 18 C LIG 1 4.431 2.580 1.139 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 3.833 4.950 -0.490 0.00 0.00 +0.101 C ATOM 20 N LIG 1 4.827 3.967 -0.918 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 4.764 3.890 -1.938 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 4 22 ATOM 22 C LIG 1 -0.412 -2.288 0.888 0.00 0.00 +0.153 C BRANCH 22 23 ATOM 23 C LIG 1 -1.768 -1.696 1.286 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.936 -0.305 1.598 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -3.242 0.189 1.860 0.00 0.00 -0.017 A ATOM 26 C LIG 1 -3.459 1.554 2.127 0.00 0.00 +0.023 A ATOM 27 C LIG 1 -2.394 2.455 2.174 0.00 0.00 +0.059 A ATOM 28 C LIG 1 -1.100 1.988 1.961 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -4.330 -0.687 1.869 0.00 0.00 +0.012 A ATOM 30 C LIG 1 -4.154 -2.052 1.651 0.00 0.00 +0.046 A ATOM 31 C LIG 1 -0.881 0.632 1.690 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -2.886 -2.564 1.377 0.00 0.00 +0.125 A BRANCH 27 33 ATOM 33 C LIG 1 -2.582 3.894 2.474 0.00 0.00 +0.337 C ATOM 34 O LIG 1 -1.694 4.711 2.635 0.00 0.00 -0.245 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.876 4.248 2.559 0.00 0.00 -0.477 OA ATOM 36 H LIG 1 -3.841 5.207 2.762 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 27 33 BRANCH 32 37 ATOM 37 O LIG 1 -2.644 -3.896 1.143 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -3.690 -4.821 1.419 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 8