REMARK Name = BDB011794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.251 1.784 -0.010 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -1.476 0.931 -0.260 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -2.553 1.486 -0.521 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.356 -0.457 -0.160 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -0.121 -1.198 0.070 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.999 -0.791 0.862 0.00 0.00 +0.058 A ATOM 7 C LIG 1 1.975 -1.774 1.168 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.978 -3.049 0.607 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.982 -3.391 -0.277 0.00 0.00 +0.002 A ATOM 10 N LIG 1 1.205 0.515 1.444 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.423 1.000 1.961 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.474 1.769 2.922 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.044 -2.481 -0.530 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.139 1.494 1.426 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.705 0.706 1.260 0.00 0.00 +0.038 A ATOM 16 C LIG 1 4.860 0.530 2.042 0.00 0.00 +0.024 A ATOM 17 C LIG 1 6.079 0.271 1.393 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.114 0.220 0.004 0.00 0.00 +0.066 A ATOM 19 N LIG 1 7.422 -0.037 -0.314 0.00 0.00 -0.277 N ATOM 20 H LIG 1 7.827 -0.134 -1.238 0.00 0.00 +0.189 HD ATOM 21 N LIG 1 8.231 -0.169 0.753 0.00 0.00 -0.181 NA ATOM 22 C LIG 1 4.986 0.422 -0.797 0.00 0.00 +0.028 A ATOM 23 C LIG 1 7.413 0.030 1.789 0.00 0.00 +0.142 A ATOM 24 C LIG 1 3.776 0.675 -0.140 0.00 0.00 +0.015 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 -0.276 3.811 -1.416 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -0.598 3.192 -0.223 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -1.462 3.498 0.212 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 0.466 3.300 -2.255 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -0.960 5.182 -1.627 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -2.243 4.943 -2.423 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -0.533 7.392 -2.604 0.00 0.00 +0.101 C ATOM 32 N LIG 1 0.006 6.085 -2.276 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 0.371 5.624 -3.114 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -2.609 -1.196 -0.474 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -2.983 -2.380 0.424 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -3.333 -3.654 -0.155 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -3.613 -4.745 0.709 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -3.929 -6.013 0.192 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -3.996 -6.236 -1.179 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.752 -5.187 -2.050 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -3.583 -4.569 2.093 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -3.315 -3.324 2.646 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -3.432 -3.921 -1.547 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.045 -2.217 1.833 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -2.800 -0.906 2.529 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6