REMARK Name = BDB061554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.233 0.837 0.247 0.00 0.00 +0.094 A ATOM 2 C LIG 1 -0.832 -0.372 0.793 0.00 0.00 +0.110 A ATOM 3 C LIG 1 0.485 -0.726 0.553 0.00 0.00 +0.126 A ATOM 4 N LIG 1 1.349 0.059 -0.129 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.876 1.220 -0.592 0.00 0.00 +0.190 A ATOM 6 N LIG 1 -0.384 1.638 -0.440 0.00 0.00 -0.221 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.999 1.221 0.082 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -5.168 2.513 0.590 0.00 0.00 +0.204 A ATOM 9 C LIG 1 -4.058 3.253 1.021 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -2.783 2.688 0.899 0.00 0.00 +0.059 A ATOM 11 C LIG 1 -2.594 1.395 0.367 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -3.723 0.679 -0.060 0.00 0.00 +0.059 A BRANCH 7 14 ATOM 13 C LIG 1 -6.720 -0.141 0.750 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -6.060 0.472 -0.359 0.00 0.00 -0.491 OA ENDBRANCH 7 14 BRANCH 8 15 ATOM 15 O LIG 1 -6.433 3.034 0.715 0.00 0.00 -0.488 OA ATOM 16 C LIG 1 -6.784 3.732 -0.480 0.00 0.00 +0.277 C ENDBRANCH 8 15 BRANCH 9 17 ATOM 17 O LIG 1 -4.320 4.500 1.525 0.00 0.00 -0.491 OA ATOM 18 C LIG 1 -3.218 5.255 2.011 0.00 0.00 +0.277 C ENDBRANCH 9 17 ENDBRANCH 1 11 BRANCH 2 19 ATOM 19 C LIG 1 -1.709 -1.182 1.575 0.00 0.00 +0.104 C ATOM 20 N LIG 1 -2.428 -1.831 2.216 0.00 0.00 -0.191 NA ENDBRANCH 2 19 BRANCH 3 21 ATOM 21 S LIG 1 1.206 -2.252 1.141 0.00 0.00 -0.042 S BRANCH 21 22 ATOM 22 C LIG 1 0.668 -3.291 -0.164 0.00 0.00 +0.141 A ATOM 23 S LIG 1 1.449 -4.777 -0.522 0.00 0.00 -0.069 S ATOM 24 C LIG 1 0.318 -5.054 -1.779 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -0.576 -4.007 -1.837 0.00 0.00 +0.120 A ATOM 26 N LIG 1 -0.375 -2.999 -0.914 0.00 0.00 -0.241 NA ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 5 27 ATOM 27 S LIG 1 1.972 2.276 -1.502 0.00 0.00 -0.077 S BRANCH 27 28 ATOM 28 C LIG 1 3.563 1.662 -0.875 0.00 0.00 +0.173 C BRANCH 28 29 ATOM 29 C LIG 1 3.732 1.887 0.623 0.00 0.00 +0.231 C ATOM 30 N LIG 1 4.827 1.306 1.223 0.00 0.00 -0.239 N ATOM 31 H LIG 1 4.728 1.592 2.194 0.00 0.00 +0.159 HD ATOM 32 C LIG 1 4.897 -0.065 1.269 0.00 0.00 +0.310 C ATOM 33 N LIG 1 5.465 -0.615 0.145 0.00 0.00 -0.269 N ATOM 34 H LIG 1 5.912 0.039 -0.482 0.00 0.00 +0.156 HD ATOM 35 O LIG 1 4.532 -0.652 2.280 0.00 0.00 -0.252 OA ATOM 36 O LIG 1 2.992 2.591 1.310 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C LIG 1 5.623 -1.982 -0.158 0.00 0.00 +0.035 A ATOM 38 C LIG 1 5.125 -3.017 0.634 0.00 0.00 +0.023 A ATOM 39 C LIG 1 5.314 -4.351 0.258 0.00 0.00 +0.002 A ATOM 40 C LIG 1 5.998 -4.660 -0.915 0.00 0.00 +0.000 A ATOM 41 C LIG 1 6.495 -3.634 -1.715 0.00 0.00 +0.002 A ATOM 42 C LIG 1 6.308 -2.301 -1.338 0.00 0.00 +0.023 A ENDBRANCH 33 37 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 11