REMARK Name = BDB055070 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.481 2.199 -0.160 0.00 0.00 +0.048 A ATOM 2 C LIG 1 0.867 3.447 0.068 0.00 0.00 +0.032 A ATOM 3 C LIG 1 1.303 4.762 0.340 0.00 0.00 +0.143 A ATOM 4 N LIG 1 0.296 5.628 0.458 0.00 0.00 -0.178 NA ATOM 5 N LIG 1 -0.807 4.872 0.272 0.00 0.00 -0.261 N ATOM 6 C LIG 1 -0.525 3.543 0.031 0.00 0.00 +0.070 A ATOM 7 C LIG 1 -1.338 2.424 -0.217 0.00 0.00 +0.036 A ATOM 8 C LIG 1 -0.733 1.170 -0.425 0.00 0.00 -0.015 A ATOM 9 C LIG 1 0.666 1.073 -0.390 0.00 0.00 +0.022 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -1.559 -0.021 -0.675 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -2.543 -0.425 0.238 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -3.327 -1.557 -0.006 0.00 0.00 +0.122 A ATOM 13 N LIG 1 -3.139 -2.292 -1.121 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -2.191 -1.901 -1.999 0.00 0.00 +0.113 A ATOM 15 C LIG 1 -1.388 -0.790 -1.825 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 N LIG 1 -4.304 -1.938 0.934 0.00 0.00 -0.313 N ATOM 17 C LIG 1 -5.300 -0.865 1.175 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -6.649 -1.442 1.660 0.00 0.00 +0.103 C ATOM 19 N LIG 1 -7.278 -2.357 0.681 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 -8.275 -3.199 1.334 0.00 0.00 +0.105 C ATOM 21 C LIG 1 -6.256 -3.164 -0.032 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -4.901 -3.272 0.700 0.00 0.00 +0.122 C ENDBRANCH 12 16 ENDBRANCH 8 10 BRANCH 1 25 ATOM 23 N LIG 1 3.505 1.092 -0.910 0.00 0.00 -0.307 N ATOM 24 H LIG 1 2.937 0.672 -1.637 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 2.962 2.087 -0.130 0.00 0.00 +0.245 C ATOM 26 O LIG 1 3.634 2.861 0.542 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 4.934 0.955 -1.094 0.00 0.00 +0.145 C BRANCH 27 29 ATOM 28 C LIG 1 6.040 -1.171 -0.230 0.00 0.00 -0.036 A ATOM 29 C LIG 1 5.287 -0.504 -1.134 0.00 0.00 +0.037 A ATOM 30 C LIG 1 4.748 -1.257 -2.314 0.00 0.00 +0.254 A ATOM 31 O LIG 1 4.006 -0.729 -3.139 0.00 0.00 -0.268 OA ATOM 32 N LIG 1 5.101 -2.578 -2.416 0.00 0.00 -0.326 N ATOM 33 H LIG 1 4.730 -3.067 -3.220 0.00 0.00 +0.169 HD ATOM 34 C LIG 1 5.871 -3.248 -1.498 0.00 0.00 +0.016 A ATOM 35 C LIG 1 6.138 -4.698 -1.758 0.00 0.00 +0.063 C ATOM 36 C LIG 1 6.332 -2.586 -0.427 0.00 0.00 +0.025 A BRANCH 28 37 ATOM 37 C LIG 1 6.652 -0.539 1.003 0.00 0.00 +0.035 C BRANCH 37 39 ATOM 38 C LIG 1 5.183 -1.710 2.740 0.00 0.00 +0.004 C ATOM 39 C LIG 1 5.680 -0.386 2.180 0.00 0.00 +0.001 C ENDBRANCH 37 39 ENDBRANCH 28 37 ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 5 40 ATOM 40 C LIG 1 -2.107 5.534 0.348 0.00 0.00 +0.102 C ATOM 41 C LIG 1 -2.959 5.013 1.505 0.00 0.00 +0.032 C ATOM 42 C LIG 1 -2.857 5.498 -0.982 0.00 0.00 +0.032 C ENDBRANCH 5 40 TORSDOF 8