REMARK Name = BDB058241 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.837 -0.697 -0.177 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.917 -0.901 1.208 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.788 -0.695 1.987 0.00 0.00 -0.038 A ATOM 4 C LIG 1 3.643 -0.893 3.463 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.341 -0.130 3.757 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.510 -0.194 2.467 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.550 0.957 2.323 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.809 2.149 2.376 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.675 0.402 2.153 0.00 0.00 -0.195 N ATOM 10 C LIG 1 -0.608 -0.944 2.226 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -1.549 -1.718 2.145 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 0.673 -1.350 2.459 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.574 -0.306 1.413 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.473 -0.117 0.044 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.613 -0.310 -0.748 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 7.863 -0.985 -4.032 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.465 -1.122 -2.652 0.00 0.00 -0.302 N ATOM 18 H LIG 1 7.752 -1.973 -2.192 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 6.221 -0.655 -2.261 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.008 -0.925 -0.927 0.00 0.00 -0.269 N ATOM 21 H LIG 1 6.835 -1.172 -0.406 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 5.464 -0.079 -3.030 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.879 1.141 1.839 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.002 1.272 0.320 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.190 1.764 -0.228 0.00 0.00 -0.293 N ATOM 26 C LIG 1 -4.450 2.088 0.467 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -4.311 2.933 1.735 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -5.317 0.842 0.693 0.00 0.00 +0.027 C ATOM 29 C LIG 1 -5.897 0.293 -0.617 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -4.915 -0.464 -1.482 0.00 0.00 -0.043 A ATOM 31 C LIG 1 -3.732 0.120 -1.982 0.00 0.00 -0.027 A ATOM 32 C LIG 1 -2.875 -0.652 -2.788 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.182 -1.974 -3.106 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.352 -2.546 -2.624 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.212 -1.797 -1.820 0.00 0.00 +0.004 A ATOM 36 C LIG 1 -3.333 1.549 -1.669 0.00 0.00 +0.143 C ATOM 37 O LIG 1 -1.042 0.967 -0.399 0.00 0.00 -0.274 OA ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 3