REMARK Name = BDB016807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.201 -0.621 -0.099 0.00 0.00 -0.320 N ATOM 2 C LIG 1 0.862 -0.556 0.078 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.264 -1.388 0.309 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.360 -0.486 0.477 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -0.925 0.945 0.290 0.00 0.00 +0.163 C ATOM 6 O LIG 1 -0.235 -2.606 0.363 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.527 0.755 0.069 0.00 0.00 +0.097 A ATOM 8 N LIG 1 1.616 1.548 -0.070 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 2.633 0.700 -0.228 0.00 0.00 +0.143 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.662 -0.849 0.832 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.063 -2.126 0.978 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.359 -2.474 1.330 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -4.676 -3.888 1.472 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.350 -1.530 1.574 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -6.501 -1.801 1.904 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -4.933 -0.103 1.412 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.984 0.933 1.654 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -3.666 0.182 1.066 0.00 0.00 +0.033 A ENDBRANCH 4 10 BRANCH 5 19 ATOM 19 C LIG 1 -1.437 1.632 -0.964 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -1.890 0.924 -2.092 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -2.354 1.601 -3.224 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.365 2.993 -3.244 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.936 3.824 -4.638 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -1.912 3.715 -2.144 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.449 3.039 -1.012 0.00 0.00 +0.007 A ENDBRANCH 5 19 BRANCH 9 26 ATOM 26 C LIG 1 4.010 1.125 -0.454 0.00 0.00 +0.037 A ATOM 27 C LIG 1 4.729 0.751 -1.593 0.00 0.00 +0.033 A ATOM 28 C LIG 1 6.041 1.201 -1.761 0.00 0.00 +0.070 A ATOM 29 C LIG 1 6.586 2.019 -0.782 0.00 0.00 +0.129 A ATOM 30 N LIG 1 5.915 2.414 0.324 0.00 0.00 -0.261 NA ATOM 31 C LIG 1 4.639 1.972 0.453 0.00 0.00 +0.122 A BRANCH 28 32 ATOM 32 C LIG 1 6.808 0.833 -2.907 0.00 0.00 +0.101 C ATOM 33 N LIG 1 7.428 0.519 -3.836 0.00 0.00 -0.191 NA ENDBRANCH 28 32 ENDBRANCH 9 26 BRANCH 1 34 ATOM 34 C LIG 1 2.985 -1.839 -0.096 0.00 0.00 +0.124 C BRANCH 34 36 ATOM 35 C LIG 1 4.148 -1.541 2.151 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.235 -2.411 1.300 0.00 0.00 +0.018 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 6