REMARK Name = BDB006297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.482 -0.236 -0.925 0.00 0.00 +0.149 C ATOM 2 N LIG 1 -1.886 1.190 -0.837 0.00 0.00 -0.250 N ATOM 3 C LIG 1 -0.801 2.058 -0.559 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.772 3.278 -0.567 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.325 1.165 -0.385 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.618 1.328 -0.156 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.123 0.058 -0.160 0.00 0.00 -0.229 N ATOM 8 C LIG 1 1.130 -0.892 -0.506 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -0.038 -0.160 -0.583 0.00 0.00 +0.032 A ENDROOT BRANCH 2 10 ATOM 10 C LIG 1 -3.190 1.626 -1.025 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -3.724 2.760 -0.158 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.130 3.107 0.860 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -4.964 3.286 -0.534 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -5.500 4.405 0.224 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -5.774 2.662 -1.467 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.367 1.561 -2.109 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.385 0.764 -3.245 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.041 1.041 -1.888 0.00 0.00 +0.050 A ENDBRANCH 2 10 BRANCH 1 23 ATOM 19 C LIG 1 -3.498 -2.748 1.930 0.00 0.00 +0.129 A ATOM 20 C LIG 1 -3.514 -3.077 0.580 0.00 0.00 +0.080 A ATOM 21 C LIG 1 -2.846 -2.247 -0.314 0.00 0.00 +0.132 A ATOM 22 F LIG 1 -2.871 -2.559 -1.617 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -2.157 -1.103 0.111 0.00 0.00 +0.013 A ATOM 24 C LIG 1 -2.172 -0.788 1.484 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -2.838 -1.612 2.395 0.00 0.00 +0.042 A BRANCH 19 27 ATOM 26 C LIG 1 -4.720 -4.260 3.595 0.00 0.00 +0.135 C ATOM 27 N LIG 1 -4.160 -3.566 2.834 0.00 0.00 -0.350 NA ENDBRANCH 19 27 ENDBRANCH 1 23 BRANCH 7 28 ATOM 28 C LIG 1 3.467 -0.146 0.225 0.00 0.00 +0.145 A ATOM 29 C LIG 1 4.475 0.764 -0.034 0.00 0.00 +0.247 A ATOM 30 N LIG 1 5.753 0.587 0.370 0.00 0.00 -0.158 NA ATOM 31 C LIG 1 6.009 -0.525 1.071 0.00 0.00 +0.321 A ATOM 32 N LIG 1 5.109 -1.463 1.387 0.00 0.00 -0.201 NA ATOM 33 C LIG 1 3.848 -1.244 0.963 0.00 0.00 +0.149 A BRANCH 29 34 ATOM 34 O LIG 1 4.223 1.828 -0.872 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 5.174 2.880 -0.760 0.00 0.00 +0.279 C ENDBRANCH 29 34 BRANCH 31 36 ATOM 36 O LIG 1 7.286 -0.781 1.519 0.00 0.00 -0.466 OA ATOM 37 C LIG 1 8.208 0.250 1.192 0.00 0.00 +0.280 C ENDBRANCH 31 36 ENDBRANCH 7 28 BRANCH 8 38 ATOM 38 C LIG 1 1.405 -2.336 -0.845 0.00 0.00 +0.032 C ATOM 39 C LIG 1 0.834 -3.289 0.204 0.00 0.00 +0.014 C ATOM 40 C LIG 1 0.869 -2.692 -2.236 0.00 0.00 +0.014 C ENDBRANCH 8 38 TORSDOF 7