REMARK Name = BDB006410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.238 1.731 0.702 0.00 0.00 +0.037 A ATOM 2 C LIG 1 1.979 0.704 1.623 0.00 0.00 +0.023 A ATOM 3 C LIG 1 0.672 0.539 2.125 0.00 0.00 +0.001 A ATOM 4 C LIG 1 0.091 -0.374 3.046 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.241 -0.057 3.165 0.00 0.00 +0.087 A ATOM 6 N LIG 1 -1.500 1.012 2.341 0.00 0.00 -0.342 N ATOM 7 C LIG 1 -0.339 1.408 1.702 0.00 0.00 +0.049 A ATOM 8 C LIG 1 -0.086 2.451 0.796 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.216 2.599 0.309 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 4.386 0.824 0.006 0.00 0.00 -0.305 N ATOM 11 H LIG 1 3.980 -0.089 0.150 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 3.599 1.947 0.139 0.00 0.00 +0.245 C ATOM 13 O LIG 1 3.955 3.068 -0.203 0.00 0.00 -0.270 OA BRANCH 10 14 ATOM 14 C LIG 1 5.718 0.881 -0.580 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 6.520 -0.308 -0.075 0.00 0.00 -0.027 A ATOM 16 C LIG 1 7.496 -0.114 0.915 0.00 0.00 +0.005 A ATOM 17 C LIG 1 8.233 -1.191 1.412 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.999 -2.478 0.932 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.025 -2.689 -0.041 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.286 -1.613 -0.538 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 22 ATOM 21 C LIG 1 7.001 1.193 -2.769 0.00 0.00 +0.006 C ATOM 22 C LIG 1 5.640 0.981 -2.118 0.00 0.00 +0.024 C ENDBRANCH 14 22 ENDBRANCH 10 14 ENDBRANCH 1 12 BRANCH 6 23 ATOM 23 C LIG 1 -2.807 1.651 2.224 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -3.742 0.859 1.345 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -3.576 0.840 -0.046 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.444 0.102 -0.857 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.500 -0.634 -0.300 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -5.659 -0.616 1.093 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -4.793 0.121 1.907 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.404 -1.420 -1.153 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -7.302 -0.841 -2.072 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.082 -1.642 -2.921 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -8.003 -3.031 -2.842 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.142 -3.623 -1.923 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.349 -2.826 -1.091 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -7.470 0.618 -2.213 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -7.462 1.236 -3.260 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -7.739 1.207 -1.036 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -7.847 2.155 -1.258 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 9