REMARK Name = BDB053413 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.131 1.966 -1.474 0.00 0.00 +0.050 A ATOM 2 C LIG 1 -0.006 1.264 -1.866 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.212 1.950 -2.062 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.284 3.332 -1.850 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -2.587 4.154 -2.118 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -3.842 3.773 -1.842 0.00 0.00 +0.029 A ATOM 7 C LIG 1 -4.304 2.429 -1.191 0.00 0.00 +0.075 A ATOM 8 C LIG 1 -3.725 1.209 -1.515 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -4.239 0.040 -0.942 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -5.324 0.113 -0.067 0.00 0.00 +0.004 A ATOM 11 C LIG 1 -5.837 1.381 0.190 0.00 0.00 +0.120 A ATOM 12 N LIG 1 -5.358 2.531 -0.349 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -0.141 4.021 -1.430 0.00 0.00 +0.010 A ATOM 14 C LIG 1 -2.486 1.172 -2.398 0.00 0.00 +0.196 A ATOM 15 O LIG 1 -2.490 0.460 -3.386 0.00 0.00 -0.287 OA ATOM 16 C LIG 1 1.062 3.337 -1.235 0.00 0.00 +0.025 A ENDROOT BRANCH 10 17 ATOM 17 C LIG 1 -5.880 -1.084 0.535 0.00 0.00 +0.021 A ATOM 18 C LIG 1 -6.554 -1.135 1.738 0.00 0.00 +0.116 A ATOM 19 N LIG 1 -6.888 -2.445 1.938 0.00 0.00 -0.274 N ATOM 20 C LIG 1 -7.596 -3.000 3.065 0.00 0.00 +0.172 C ATOM 21 N LIG 1 -6.481 -3.256 0.948 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 -5.866 -2.430 0.098 0.00 0.00 +0.143 A ENDBRANCH 10 17 BRANCH 1 23 ATOM 23 N LIG 1 2.358 1.268 -1.225 0.00 0.00 -0.206 N ATOM 24 H LIG 1 2.428 0.437 -1.811 0.00 0.00 +0.175 HD BRANCH 23 25 ATOM 25 S LIG 1 2.546 0.754 0.379 0.00 0.00 +0.112 S ATOM 26 O LIG 1 1.831 -0.494 0.504 0.00 0.00 -0.138 OA ATOM 27 O LIG 1 2.316 1.863 1.272 0.00 0.00 -0.138 OA BRANCH 25 29 ATOM 28 C LIG 1 5.103 1.572 0.239 0.00 0.00 +0.133 C ATOM 29 N LIG 1 4.195 0.420 0.369 0.00 0.00 -0.164 NA BRANCH 29 30 ATOM 30 C LIG 1 4.660 -0.801 -0.332 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 C LIG 1 4.768 -2.001 0.626 0.00 0.00 +0.160 C ATOM 32 O LIG 1 5.002 -3.181 -0.176 0.00 0.00 -0.371 OA ATOM 33 C LIG 1 6.252 -3.818 0.106 0.00 0.00 +0.188 C ATOM 34 C LIG 1 7.386 -2.797 0.184 0.00 0.00 +0.188 C ATOM 35 O LIG 1 7.167 -1.770 1.161 0.00 0.00 -0.375 OA ATOM 36 C LIG 1 5.843 -1.792 1.706 0.00 0.00 +0.192 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 6