REMARK Name = BDB016811 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.385 -1.079 -0.905 0.00 0.00 -0.319 N ATOM 2 C LIG 1 1.066 -0.817 -0.740 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.201 -1.454 -0.782 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -1.143 -0.415 -0.500 0.00 0.00 -0.252 N ATOM 5 C LIG 1 -0.445 0.896 -0.228 0.00 0.00 +0.163 C ATOM 6 O LIG 1 -0.379 -2.634 -1.028 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 0.964 0.497 -0.436 0.00 0.00 +0.097 A ATOM 8 N LIG 1 2.173 1.106 -0.422 0.00 0.00 -0.228 NA ATOM 9 C LIG 1 3.038 0.133 -0.704 0.00 0.00 +0.160 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.537 -0.526 -0.522 0.00 0.00 +0.054 A ATOM 11 C LIG 1 -3.350 0.531 -0.323 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -4.732 0.435 -0.340 0.00 0.00 -0.316 N ATOM 13 C LIG 1 -5.513 1.641 -0.103 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -5.397 -0.766 -0.568 0.00 0.00 +0.254 A ATOM 15 O LIG 1 -6.619 -0.887 -0.592 0.00 0.00 -0.267 OA ATOM 16 C LIG 1 -4.519 -1.954 -0.790 0.00 0.00 +0.016 A ATOM 17 C LIG 1 -5.205 -3.261 -1.033 0.00 0.00 +0.049 C ATOM 18 C LIG 1 -3.183 -1.807 -0.762 0.00 0.00 +0.033 A ENDBRANCH 4 10 BRANCH 5 19 ATOM 19 C LIG 1 -0.516 1.400 1.202 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -0.759 0.552 2.299 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -0.814 1.062 3.599 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -0.618 2.423 3.820 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -0.684 3.049 5.420 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -0.366 3.279 2.752 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.314 2.771 1.452 0.00 0.00 +0.007 A ENDBRANCH 5 19 BRANCH 9 26 ATOM 26 C LIG 1 4.449 0.368 -0.761 0.00 0.00 +0.104 A ATOM 27 N LIG 1 5.099 1.300 0.018 0.00 0.00 -0.264 N ATOM 28 C LIG 1 4.526 2.170 1.020 0.00 0.00 +0.173 C ATOM 29 N LIG 1 6.433 1.346 -0.201 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.627 0.451 -1.168 0.00 0.00 +0.135 A ATOM 31 C LIG 1 5.434 -0.185 -1.555 0.00 0.00 +0.052 A ENDBRANCH 9 26 BRANCH 1 33 ATOM 32 C LIG 1 2.888 -2.782 -2.618 0.00 0.00 +0.027 C ATOM 33 C LIG 1 2.944 -2.391 -1.151 0.00 0.00 +0.121 C ENDBRANCH 1 33 TORSDOF 4