REMARK Name = BDB008232 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.109 -0.819 -0.557 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.875 0.467 -0.869 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.009 1.173 -0.124 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.674 0.609 0.945 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.482 -0.742 1.242 0.00 0.00 +0.009 A ATOM 6 C LIG 1 0.441 -1.458 0.478 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.204 -1.384 2.328 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -2.558 -1.694 2.317 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -3.129 -2.273 3.440 0.00 0.00 +0.115 A ATOM 10 C LIG 1 -4.496 -2.443 3.126 0.00 0.00 +0.086 A ATOM 11 N LIG 1 -4.775 -2.011 1.888 0.00 0.00 -0.174 NA ATOM 12 C LIG 1 -5.558 -3.006 3.991 0.00 0.00 +0.070 C ATOM 13 N LIG 1 -2.435 -2.572 4.560 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -1.136 -2.262 4.474 0.00 0.00 +0.222 A ATOM 15 N LIG 1 -3.582 -1.593 1.412 0.00 0.00 -0.263 N ATOM 16 C LIG 1 -3.519 -1.125 0.046 0.00 0.00 +0.173 C ATOM 17 N LIG 1 -0.492 -1.699 3.436 0.00 0.00 -0.233 NA ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 2.929 -1.135 -2.220 0.00 0.00 +0.235 C ATOM 19 N LIG 1 2.019 -1.589 -1.282 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.153 -2.561 -1.026 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 3.136 0.021 -2.564 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 3.683 -2.327 -2.862 0.00 0.00 +0.137 C ATOM 23 C LIG 1 4.916 -1.882 -3.645 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 4.979 -3.021 -0.882 0.00 0.00 +0.101 C ATOM 25 N LIG 1 3.950 -3.396 -1.853 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 4.287 -4.218 -2.358 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 -0.245 2.521 -0.387 0.00 0.00 -0.265 N ATOM 28 H LIG 1 -0.817 3.045 0.265 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 0.209 3.249 -1.465 0.00 0.00 +0.268 C ATOM 30 O LIG 1 0.831 2.856 -2.441 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 -0.180 4.695 -1.377 0.00 0.00 +0.126 A ATOM 32 N LIG 1 -0.952 5.046 -0.304 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 -1.300 6.355 -0.225 0.00 0.00 +0.131 A ATOM 34 C LIG 1 -0.924 7.318 -1.153 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 -1.413 8.952 -0.971 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -0.141 6.929 -2.235 0.00 0.00 +0.024 A ATOM 37 C LIG 1 0.241 5.593 -2.354 0.00 0.00 +0.034 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6