REMARK Name = BDB059630 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.716 1.427 -1.251 0.00 0.00 +0.054 C ATOM 2 C LIG 1 1.473 0.447 -2.171 0.00 0.00 +0.117 C ATOM 3 N LIG 1 2.604 0.594 -1.265 0.00 0.00 -0.295 N ATOM 4 C LIG 1 3.737 -0.193 -1.253 0.00 0.00 +0.265 C ATOM 5 O LIG 1 4.028 -0.909 -2.213 0.00 0.00 -0.268 OA ATOM 6 C LIG 1 1.804 1.155 -0.188 0.00 0.00 +0.117 C ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -3.159 1.864 -0.778 0.00 0.00 +0.162 A ATOM 8 C LIG 1 -3.541 0.619 -0.248 0.00 0.00 +0.162 A ATOM 9 C LIG 1 -2.569 -0.358 -0.040 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -1.230 -0.103 -0.359 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.806 1.128 -0.890 0.00 0.00 -0.038 A ATOM 12 C LIG 1 -1.811 2.099 -1.089 0.00 0.00 +0.053 A BRANCH 7 14 ATOM 13 C LIG 1 -3.824 4.053 -1.476 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -4.169 2.776 -0.959 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -4.874 0.468 0.038 0.00 0.00 -0.484 OA BRANCH 15 16 ATOM 16 C LIG 1 -5.322 -0.819 0.458 0.00 0.00 +0.264 C BRANCH 16 17 ATOM 17 C LIG 1 -6.826 -0.818 0.616 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -7.431 -1.574 1.624 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -8.826 -1.609 1.749 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -9.671 -0.903 0.875 0.00 0.00 -0.044 A ATOM 21 C LIG 1 -9.043 -0.161 -0.139 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -7.650 -0.120 -0.273 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 C LIG 1 -11.176 -0.974 1.059 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -12.065 0.203 0.738 0.00 0.00 +0.009 C ATOM 25 C LIG 1 -12.105 -1.022 -0.131 0.00 0.00 +0.009 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 1 11 BRANCH 4 26 ATOM 26 C LIG 1 4.638 -0.168 -0.050 0.00 0.00 +0.126 A ATOM 27 N LIG 1 4.306 0.637 0.993 0.00 0.00 -0.250 NA ATOM 28 C LIG 1 5.135 0.630 2.059 0.00 0.00 +0.112 A ATOM 29 C LIG 1 6.281 -0.141 2.141 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.622 -0.958 1.060 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.775 -0.974 -0.052 0.00 0.00 +0.039 A BRANCH 30 32 ATOM 32 C LIG 1 7.849 -1.835 1.104 0.00 0.00 +0.195 C BRANCH 32 33 ATOM 33 O LIG 1 8.964 -1.126 1.648 0.00 0.00 -0.373 OA BRANCH 33 34 ATOM 34 C LIG 1 9.685 -0.358 0.673 0.00 0.00 +0.193 C BRANCH 34 35 ATOM 35 C LIG 1 10.850 -1.177 0.094 0.00 0.00 +0.165 C BRANCH 35 36 ATOM 36 O LIG 1 10.341 -2.151 -0.835 0.00 0.00 -0.387 OA ATOM 37 H LIG 1 11.054 -2.797 -0.989 0.00 0.00 +0.210 HD ENDBRANCH 35 36 BRANCH 35 38 ATOM 38 C LIG 1 11.841 -0.287 -0.661 0.00 0.00 +0.189 C BRANCH 38 39 ATOM 39 O LIG 1 11.204 0.338 -1.773 0.00 0.00 -0.392 OA ATOM 40 H LIG 1 10.657 -0.353 -2.196 0.00 0.00 +0.210 HD ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 4 26 TORSDOF 14