REMARK Name = BDB007250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.621 1.277 1.310 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -5.279 1.298 -0.051 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -4.231 0.520 -0.548 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -3.473 -0.262 0.328 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -2.343 -1.160 -0.149 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -1.220 -1.089 0.820 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -1.497 -1.223 2.193 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -2.967 -1.155 2.595 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -0.656 -1.357 3.085 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.784 -0.265 1.696 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.861 0.492 2.182 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.750 -2.620 -0.438 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.788 -3.515 -0.947 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.110 -4.846 -1.231 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.405 -5.303 -1.019 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.802 -6.941 -1.361 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.380 -4.439 -0.535 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.057 -3.107 -0.251 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 0.130 -1.000 0.326 0.00 0.00 +0.037 A ATOM 20 C LIG 1 1.192 -1.642 0.975 0.00 0.00 +0.024 A ATOM 21 C LIG 1 2.500 -1.571 0.480 0.00 0.00 +0.007 A ATOM 22 C LIG 1 2.793 -0.841 -0.678 0.00 0.00 -0.030 A ATOM 23 C LIG 1 1.740 -0.192 -1.331 0.00 0.00 +0.007 A ATOM 24 C LIG 1 0.431 -0.270 -0.835 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 4.216 -0.760 -1.231 0.00 0.00 +0.084 C ATOM 26 C LIG 1 4.502 -2.095 -1.944 0.00 0.00 +0.029 C BRANCH 25 27 ATOM 27 N LIG 1 5.204 -0.427 -0.179 0.00 0.00 -0.293 NA ATOM 28 C LIG 1 6.605 -0.613 -0.600 0.00 0.00 +0.104 C ATOM 29 C LIG 1 7.623 0.055 0.344 0.00 0.00 +0.123 C ATOM 30 N LIG 1 7.404 1.498 0.455 0.00 0.00 -0.299 N ATOM 31 C LIG 1 8.367 2.416 0.833 0.00 0.00 +0.213 C ATOM 32 O LIG 1 8.167 3.630 0.823 0.00 0.00 -0.276 OA ATOM 33 C LIG 1 9.707 1.867 1.254 0.00 0.00 +0.109 C ATOM 34 C LIG 1 6.063 1.969 0.113 0.00 0.00 +0.123 C ATOM 35 C LIG 1 4.980 0.915 0.415 0.00 0.00 +0.104 C ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 37 ATOM 36 C LIG 1 -7.125 1.967 3.028 0.00 0.00 +0.277 C ATOM 37 O LIG 1 -6.691 2.049 1.677 0.00 0.00 -0.491 OA ENDBRANCH 1 37 BRANCH 2 38 ATOM 38 O LIG 1 -6.035 2.025 -0.937 0.00 0.00 -0.486 OA BRANCH 38 39 ATOM 39 C LIG 1 -5.386 3.253 -1.310 0.00 0.00 +0.167 C ATOM 40 C LIG 1 -6.199 4.419 -0.756 0.00 0.00 +0.051 C ATOM 41 C LIG 1 -5.344 3.308 -2.834 0.00 0.00 +0.051 C ENDBRANCH 38 39 ENDBRANCH 2 38 TORSDOF 7