REMARK Name = BDB024157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.214 -0.831 0.081 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.895 0.559 0.616 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.506 0.791 1.945 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.226 2.087 2.387 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.343 3.167 1.516 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.749 2.957 0.201 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.028 1.665 -0.244 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.715 -2.256 0.984 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.915 -3.050 1.581 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.618 -2.018 0.879 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.360 -2.839 1.443 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.428 -0.847 -0.291 0.00 0.00 +0.048 A ATOM 13 C LIG 1 4.204 -1.892 0.599 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.980 -2.325 0.997 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.893 -1.707 0.490 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.008 -0.676 -0.424 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.284 -0.245 -0.809 0.00 0.00 +0.028 A BRANCH 12 20 ATOM 18 C LIG 1 7.572 0.424 -0.870 0.00 0.00 +0.152 C ATOM 19 C LIG 1 6.115 0.867 -1.117 0.00 0.00 +0.138 C ATOM 20 N LIG 1 5.716 -0.443 -0.676 0.00 0.00 -0.324 N ATOM 21 C LIG 1 6.938 -0.636 0.053 0.00 0.00 +0.138 C BRANCH 18 23 ATOM 22 C LIG 1 9.760 0.949 0.036 0.00 0.00 +0.194 C ATOM 23 O LIG 1 8.445 1.401 -0.255 0.00 0.00 -0.377 OA ENDBRANCH 18 23 ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.676 -1.032 -0.147 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.810 -2.028 -0.337 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.524 -0.677 1.003 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.990 -1.141 0.802 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -5.816 -0.839 2.058 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -5.665 -0.540 -0.424 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -6.248 -1.387 -1.379 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.878 -0.861 -2.510 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -6.939 0.521 -2.700 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.367 1.375 -1.754 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.735 0.848 -0.624 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -7.586 1.060 -3.859 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -8.112 1.493 -4.800 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10