REMARK Name = BDB056570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.105 2.138 -0.311 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -2.897 1.440 -0.272 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -2.635 0.148 0.235 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -1.497 -0.224 0.478 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.944 2.227 -0.938 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -2.618 3.258 -1.591 0.00 0.00 +0.019 A ATOM 7 C LIG 1 -1.886 4.148 -2.381 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -0.545 4.009 -2.519 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 0.103 3.000 -1.904 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -0.554 2.089 -1.084 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -3.981 3.160 -1.230 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -7.508 0.715 3.191 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.857 1.332 2.061 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -7.545 2.193 1.290 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -6.651 2.568 0.371 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -5.400 1.934 0.538 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -5.561 1.161 1.663 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 1.480 2.972 -2.118 0.00 0.00 -0.298 N ATOM 19 H LIG 1 1.746 3.800 -2.646 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 2.455 1.958 -2.139 0.00 0.00 +0.051 A ATOM 21 C LIG 1 3.825 2.306 -2.107 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 4.317 3.967 -2.123 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 4.829 1.336 -2.062 0.00 0.00 +0.035 A ATOM 24 C LIG 1 4.469 -0.009 -2.032 0.00 0.00 +0.038 A ATOM 25 C LIG 1 3.129 -0.389 -2.091 0.00 0.00 +0.015 A ATOM 26 C LIG 1 2.133 0.592 -2.134 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 5.511 -1.052 -1.995 0.00 0.00 +0.247 C ATOM 28 N LIG 1 6.238 -1.227 -0.811 0.00 0.00 -0.294 N ATOM 29 C LIG 1 7.234 -2.305 -0.775 0.00 0.00 +0.130 C ATOM 30 C LIG 1 6.851 -3.373 0.224 0.00 0.00 +0.185 C ATOM 31 S LIG 1 6.880 -2.690 1.869 0.00 0.00 -0.028 S ATOM 32 O LIG 1 8.190 -2.948 2.437 0.00 0.00 -0.174 OA ATOM 33 O LIG 1 5.677 -3.124 2.555 0.00 0.00 -0.174 OA ATOM 34 C LIG 1 6.752 -0.934 1.618 0.00 0.00 +0.185 C ATOM 35 C LIG 1 5.811 -0.643 0.469 0.00 0.00 +0.130 C ATOM 36 O LIG 1 5.676 -1.724 -3.008 0.00 0.00 -0.270 OA ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 37 ATOM 37 O LIG 1 -3.768 -0.592 0.268 0.00 0.00 -0.442 OA BRANCH 37 38 ATOM 38 C LIG 1 -3.716 -2.008 0.579 0.00 0.00 +0.107 C ATOM 39 C LIG 1 -2.900 -2.771 -0.471 0.00 0.00 +0.055 C ATOM 40 C LIG 1 -3.189 -2.253 1.997 0.00 0.00 +0.055 C ATOM 41 C LIG 1 -5.175 -2.484 0.507 0.00 0.00 +0.055 C ENDBRANCH 37 38 ENDBRANCH 3 37 TORSDOF 6