REMARK Name = BDB016745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.748 1.375 -1.255 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -2.197 2.199 -2.253 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.803 2.285 -2.364 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.074 1.613 -1.522 0.00 0.00 +0.027 A ATOM 5 C LIG 1 1.378 1.992 -1.974 0.00 0.00 +0.093 A ATOM 6 N LIG 1 1.307 2.802 -3.041 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -0.473 0.784 -0.525 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.009 2.967 -3.241 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -0.306 3.558 -4.008 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -1.868 0.685 -0.404 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -7.833 -0.655 1.222 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -6.985 0.107 0.405 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -6.025 -0.534 -0.363 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -4.978 -0.040 -1.319 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.243 1.261 -1.062 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -4.322 -1.304 -1.828 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -4.917 -2.363 -1.162 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -4.665 -3.323 -1.340 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -3.461 -1.374 -2.689 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.188 1.127 -2.239 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -5.930 -1.931 -0.305 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.747 -2.712 0.483 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -7.711 -2.057 1.257 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -9.632 -0.628 2.782 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -8.739 0.084 1.935 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 2.647 1.587 -1.444 0.00 0.00 +0.031 C ATOM 27 C LIG 1 2.924 1.297 -0.162 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 4.256 0.905 0.318 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.358 -0.089 1.298 0.00 0.00 +0.008 A ATOM 30 C LIG 1 5.606 -0.471 1.799 0.00 0.00 +0.005 A ATOM 31 C LIG 1 6.780 0.138 1.335 0.00 0.00 -0.033 A ATOM 32 C LIG 1 6.674 1.148 0.370 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.425 1.530 -0.131 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 8.133 -0.276 1.877 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 8.834 -1.358 1.170 0.00 0.00 -0.304 NA ATOM 36 C LIG 1 9.198 -1.011 -0.200 0.00 0.00 +0.104 C ATOM 37 C LIG 1 8.128 -2.633 1.220 0.00 0.00 +0.104 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6