REMARK Name = BDB038650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.471 0.871 -0.909 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.233 0.822 -2.089 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -3.640 0.734 -2.091 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -4.273 0.706 -0.839 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.557 0.751 0.367 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.157 0.842 0.309 0.00 0.00 +0.032 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.567 1.209 -0.497 0.00 0.00 -0.033 A ATOM 8 C LIG 1 3.394 1.064 0.258 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.188 1.039 -0.420 0.00 0.00 +0.042 A ATOM 10 C LIG 1 0.831 0.900 0.121 0.00 0.00 +0.251 C ATOM 11 N LIG 1 -0.051 0.944 -0.965 0.00 0.00 -0.263 N ATOM 12 C LIG 1 0.673 1.078 -2.225 0.00 0.00 +0.149 C ATOM 13 O LIG 1 0.623 0.762 1.313 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.101 1.145 -1.802 0.00 0.00 -0.018 A ATOM 15 C LIG 1 3.245 1.280 -2.567 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.479 1.309 -1.906 0.00 0.00 +0.005 A BRANCH 7 17 ATOM 17 C LIG 1 5.918 1.234 0.180 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.629 -0.022 -0.051 0.00 0.00 -0.310 NA ATOM 19 H LIG 1 6.062 -0.788 0.313 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.929 -0.014 0.627 0.00 0.00 +0.109 C BRANCH 20 21 ATOM 21 C LIG 1 8.708 -1.308 0.362 0.00 0.00 +0.174 C BRANCH 21 23 ATOM 22 C LIG 1 10.723 -2.425 0.862 0.00 0.00 +0.194 C ATOM 23 O LIG 1 9.939 -1.260 1.088 0.00 0.00 -0.382 OA ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -4.256 0.698 1.667 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.081 -0.386 2.055 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -5.768 -0.341 3.282 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -5.622 0.747 4.145 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -4.791 1.807 3.783 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.121 1.782 2.557 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -5.278 -1.569 1.217 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.323 -2.490 0.863 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -2.942 -2.552 1.261 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -4.949 -3.404 0.071 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -6.218 -3.094 -0.041 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -6.429 -1.951 0.693 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -6.320 0.774 5.398 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.875 0.798 6.417 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -4.393 0.657 -3.408 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -5.566 -0.282 -3.565 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -5.791 1.204 -3.561 0.00 0.00 +0.009 C ENDBRANCH 3 38 TORSDOF 10