REMARK Name = BDB022049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.339 -0.301 2.536 0.00 0.00 +0.191 C ATOM 2 O LIG 1 -5.039 -1.088 1.561 0.00 0.00 -0.485 OA ATOM 3 C LIG 1 -4.505 -1.020 0.295 0.00 0.00 +0.142 A ATOM 4 C LIG 1 -3.537 -0.080 -0.112 0.00 0.00 +0.080 A ATOM 5 C LIG 1 -3.141 -0.077 -1.457 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -3.661 -1.010 -2.359 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.600 -1.947 -1.936 0.00 0.00 +0.004 A ATOM 8 N LIG 1 -3.047 0.870 0.842 0.00 0.00 -0.248 N ATOM 9 C LIG 1 -2.137 1.877 0.565 0.00 0.00 +0.309 C ATOM 10 N LIG 1 -0.924 1.498 -0.011 0.00 0.00 -0.285 N ATOM 11 C LIG 1 -0.029 2.580 -0.412 0.00 0.00 +0.110 C ATOM 12 C LIG 1 1.326 2.087 -0.915 0.00 0.00 +0.032 C ATOM 13 C LIG 1 1.169 0.811 -1.746 0.00 0.00 +0.078 C ATOM 14 C LIG 1 0.467 -0.309 -0.958 0.00 0.00 +0.032 C ATOM 15 C LIG 1 -0.293 0.208 0.262 0.00 0.00 +0.110 C ATOM 16 O LIG 1 -2.356 3.048 0.882 0.00 0.00 -0.252 OA ATOM 17 C LIG 1 -5.029 -1.944 -0.612 0.00 0.00 +0.047 A ATOM 18 C LIG 1 -3.948 1.064 1.974 0.00 0.00 +0.159 C ENDROOT BRANCH 13 19 ATOM 19 C LIG 1 2.504 0.350 -2.329 0.00 0.00 +0.220 C ATOM 20 N LIG 1 3.456 0.031 -1.377 0.00 0.00 -0.285 N ATOM 21 H LIG 1 3.183 0.119 -0.408 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 2.646 0.288 -3.547 0.00 0.00 -0.275 OA BRANCH 20 23 ATOM 23 C LIG 1 4.778 -0.418 -1.596 0.00 0.00 +0.037 A ATOM 24 C LIG 1 5.559 -0.684 -0.458 0.00 0.00 +0.069 A ATOM 25 C LIG 1 6.877 -1.132 -0.583 0.00 0.00 +0.122 A ATOM 26 C LIG 1 7.418 -1.315 -1.855 0.00 0.00 +0.046 A ATOM 27 C LIG 1 6.654 -1.053 -2.990 0.00 0.00 +0.005 A ATOM 28 C LIG 1 5.338 -0.605 -2.860 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 O LIG 1 7.731 -1.423 0.445 0.00 0.00 -0.495 OA ATOM 30 C LIG 1 7.241 -1.247 1.768 0.00 0.00 +0.277 C ENDBRANCH 25 29 ENDBRANCH 20 23 ENDBRANCH 13 19 BRANCH 1 32 ATOM 31 C LIG 1 -6.556 0.483 3.571 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -5.212 -0.198 3.793 0.00 0.00 +0.043 C ENDBRANCH 1 32 TORSDOF 4