REMARK Name = BDB008237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.069 -0.176 -0.384 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.033 -0.800 -0.851 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.168 -0.729 -0.124 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.247 -0.033 1.070 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.115 0.641 1.524 0.00 0.00 +0.007 A ATOM 6 C LIG 1 1.065 0.560 0.790 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.166 1.415 2.761 0.00 0.00 +0.076 A ATOM 8 N LIG 1 -0.071 2.797 2.832 0.00 0.00 -0.299 N ATOM 9 C LIG 1 -0.148 3.133 4.182 0.00 0.00 +0.138 A ATOM 10 C LIG 1 -0.053 4.513 4.519 0.00 0.00 +0.047 A ATOM 11 C LIG 1 0.104 5.434 3.548 0.00 0.00 +0.005 A ATOM 12 C LIG 1 0.167 5.053 2.145 0.00 0.00 +0.018 A ATOM 13 N LIG 1 -0.292 2.069 4.942 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 0.076 3.753 1.818 0.00 0.00 +0.093 A ATOM 15 C LIG 1 -0.304 0.998 4.078 0.00 0.00 +0.065 A ATOM 16 C LIG 1 -0.415 -0.383 4.608 0.00 0.00 +0.068 C ENDBRANCH 5 7 BRANCH 1 18 ATOM 17 C LIG 1 3.471 0.144 -1.013 0.00 0.00 +0.235 C ATOM 18 N LIG 1 2.206 -0.386 -1.160 0.00 0.00 -0.269 N ATOM 19 H LIG 1 2.073 -0.994 -1.965 0.00 0.00 +0.156 HD ATOM 20 O LIG 1 3.795 1.014 -0.212 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 4.499 -0.562 -1.936 0.00 0.00 +0.137 C ATOM 22 C LIG 1 5.754 0.292 -2.114 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 4.521 -1.986 -3.914 0.00 0.00 +0.101 C ATOM 24 N LIG 1 3.850 -0.883 -3.233 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 3.887 -0.053 -3.831 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 3 26 ATOM 26 N LIG 1 -2.249 -1.398 -0.693 0.00 0.00 -0.265 N ATOM 27 H LIG 1 -2.069 -1.783 -1.617 0.00 0.00 +0.157 HD ATOM 28 C LIG 1 -3.481 -1.659 -0.141 0.00 0.00 +0.268 C ATOM 29 O LIG 1 -3.842 -1.409 1.002 0.00 0.00 -0.268 OA BRANCH 28 30 ATOM 30 C LIG 1 -4.421 -2.353 -1.084 0.00 0.00 +0.126 A ATOM 31 N LIG 1 -3.955 -2.597 -2.340 0.00 0.00 -0.249 NA ATOM 32 C LIG 1 -4.837 -3.170 -3.200 0.00 0.00 +0.131 A ATOM 33 C LIG 1 -6.142 -3.513 -2.868 0.00 0.00 +0.059 A ATOM 34 CL LIG 1 -7.191 -4.210 -4.031 0.00 0.00 -0.082 Cl ATOM 35 C LIG 1 -6.576 -3.281 -1.569 0.00 0.00 +0.024 A ATOM 36 C LIG 1 -5.704 -2.686 -0.657 0.00 0.00 +0.034 A ENDBRANCH 28 30 ENDBRANCH 3 26 TORSDOF 6