REMARK Name = BDB008255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.527 0.396 0.056 0.00 0.00 +0.128 A ATOM 2 N LIG 1 1.021 1.612 -0.202 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -0.296 1.823 -0.022 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -1.153 0.829 0.422 0.00 0.00 +0.052 A ATOM 5 C LIG 1 -0.635 -0.441 0.697 0.00 0.00 -0.008 A ATOM 6 C LIG 1 0.735 -0.650 0.506 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.500 -1.534 1.164 0.00 0.00 +0.029 A ATOM 8 C LIG 1 -1.785 -2.653 0.372 0.00 0.00 +0.082 A ATOM 9 C LIG 1 -2.529 -3.702 0.911 0.00 0.00 +0.087 A ATOM 10 C LIG 1 -2.594 -4.742 -0.103 0.00 0.00 +0.276 A ATOM 11 N LIG 1 -1.979 -4.218 -1.234 0.00 0.00 -0.252 N ATOM 12 C LIG 1 -1.320 -5.081 -2.187 0.00 0.00 +0.174 C ATOM 13 O LIG 1 -3.048 -5.858 0.065 0.00 0.00 -0.266 OA ATOM 14 C LIG 1 -3.026 -3.664 2.190 0.00 0.00 +0.053 A ATOM 15 C LIG 1 -3.821 -4.785 2.778 0.00 0.00 +0.066 C ATOM 16 N LIG 1 -2.792 -2.582 2.970 0.00 0.00 -0.256 NA ATOM 17 N LIG 1 -1.379 -2.930 -0.969 0.00 0.00 -0.283 N ATOM 18 C LIG 1 -1.824 -1.902 -1.924 0.00 0.00 +0.171 C ATOM 19 C LIG 1 -2.040 -1.554 2.470 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -1.800 -0.427 3.440 0.00 0.00 +0.066 C ENDBRANCH 5 7 BRANCH 1 22 ATOM 21 C LIG 1 3.833 1.025 -0.605 0.00 0.00 +0.235 C ATOM 22 N LIG 1 2.887 0.141 -0.119 0.00 0.00 -0.269 N ATOM 23 H LIG 1 3.240 -0.792 0.066 0.00 0.00 +0.156 HD ATOM 24 O LIG 1 3.657 2.180 -0.978 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 5.249 0.401 -0.591 0.00 0.00 +0.137 C ATOM 26 C LIG 1 5.856 0.635 0.792 0.00 0.00 +0.034 C BRANCH 25 28 ATOM 27 C LIG 1 6.444 -1.689 -1.030 0.00 0.00 +0.101 C ATOM 28 N LIG 1 5.136 -1.046 -0.935 0.00 0.00 -0.309 NA ATOM 29 H LIG 1 4.702 -1.098 -1.862 0.00 0.00 +0.122 HD ENDBRANCH 25 28 ENDBRANCH 21 25 ENDBRANCH 1 22 BRANCH 3 30 ATOM 30 N LIG 1 -0.699 3.119 -0.326 0.00 0.00 -0.265 N ATOM 31 H LIG 1 0.060 3.723 -0.632 0.00 0.00 +0.157 HD ATOM 32 C LIG 1 -1.954 3.673 -0.268 0.00 0.00 +0.268 C ATOM 33 O LIG 1 -2.991 3.110 0.064 0.00 0.00 -0.268 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.980 5.119 -0.671 0.00 0.00 +0.126 A ATOM 35 N LIG 1 -0.786 5.663 -1.037 0.00 0.00 -0.249 NA ATOM 36 C LIG 1 -0.805 6.969 -1.401 0.00 0.00 +0.131 A ATOM 37 C LIG 1 -1.953 7.751 -1.416 0.00 0.00 +0.059 A ATOM 38 CL LIG 1 -1.890 9.398 -1.891 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 -3.158 7.169 -1.038 0.00 0.00 +0.024 A ATOM 40 C LIG 1 -3.178 5.827 -0.657 0.00 0.00 +0.034 A ENDBRANCH 32 34 ENDBRANCH 3 30 TORSDOF 6