REMARK Name = BDB011741 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.446 0.081 -0.708 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.439 0.494 0.376 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.788 1.234 1.304 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.906 0.162 0.151 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.338 -1.237 0.257 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.439 -2.343 0.296 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -0.928 -3.643 0.548 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.283 -3.886 0.739 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -3.174 -2.833 0.660 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.938 -2.221 -0.045 0.00 0.00 -0.233 N ATOM 11 C LIG 1 1.990 -2.868 0.602 0.00 0.00 +0.407 C ATOM 12 O LIG 1 3.155 -2.824 0.220 0.00 0.00 -0.226 OA ATOM 13 C LIG 1 -2.706 -1.536 0.420 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.238 -1.347 -1.169 0.00 0.00 +0.148 C ENDROOT BRANCH 1 16 ATOM 15 C LIG 1 3.869 0.474 -1.047 0.00 0.00 +0.230 C ATOM 16 N LIG 1 2.797 0.316 -0.199 0.00 0.00 -0.301 N ATOM 17 H LIG 1 2.925 0.358 0.806 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 3.739 0.472 -2.271 0.00 0.00 -0.274 OA BRANCH 15 19 ATOM 19 C LIG 1 5.219 0.726 -0.335 0.00 0.00 +0.137 C ATOM 20 C LIG 1 5.295 2.211 0.019 0.00 0.00 +0.034 C BRANCH 19 22 ATOM 21 C LIG 1 7.640 0.527 -0.710 0.00 0.00 +0.101 C ATOM 22 N LIG 1 6.307 0.252 -1.209 0.00 0.00 -0.309 NA ATOM 23 H LIG 1 6.175 0.646 -2.143 0.00 0.00 +0.122 HD ENDBRANCH 19 22 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 24 ATOM 24 O LIG 1 1.618 -3.502 1.751 0.00 0.00 -0.453 OA ATOM 25 C LIG 1 2.691 -4.128 2.455 0.00 0.00 +0.282 C ENDBRANCH 11 24 BRANCH 4 26 ATOM 26 C LIG 1 -1.835 1.231 0.576 0.00 0.00 +0.149 C BRANCH 26 27 ATOM 27 C LIG 1 -2.989 1.574 -0.372 0.00 0.00 -0.019 A ATOM 28 C LIG 1 -4.315 1.786 0.156 0.00 0.00 -0.013 A ATOM 29 C LIG 1 -5.378 2.055 -0.745 0.00 0.00 -0.018 A ATOM 30 C LIG 1 -6.691 2.239 -0.279 0.00 0.00 +0.008 A ATOM 31 C LIG 1 -6.989 2.176 1.078 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.971 1.935 1.986 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.128 2.147 -2.115 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -3.839 2.011 -2.614 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -4.661 1.746 1.534 0.00 0.00 +0.009 A ATOM 36 C LIG 1 -2.759 1.755 -1.761 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -1.395 1.677 -2.391 0.00 0.00 +0.044 C ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 6