REMARK Name = BDB058731 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.065 -1.014 1.421 0.00 0.00 +0.195 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.425 -1.303 0.803 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -3.698 -1.206 -0.613 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -5.021 -1.587 -0.819 0.00 0.00 +0.049 A ATOM 5 C LIG 1 -5.620 -1.621 -2.085 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -4.837 -1.244 -3.177 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.514 -0.851 -3.015 0.00 0.00 +0.021 A ATOM 8 CL LIG 1 -5.528 -1.266 -4.755 0.00 0.00 -0.083 Cl ATOM 9 N LIG 1 -5.540 -1.898 0.408 0.00 0.00 -0.349 N ATOM 10 H LIG 1 -6.487 -2.212 0.581 0.00 0.00 +0.166 HD ATOM 11 C LIG 1 -2.934 -0.827 -1.740 0.00 0.00 +0.012 A ATOM 12 CA LIG 1 -4.624 -1.679 1.414 0.00 0.00 +0.131 A BRANCH 12 13 ATOM 13 C LIG 1 -4.976 -1.841 2.797 0.00 0.00 +0.354 C ATOM 14 O LIG 1 -4.326 -1.540 3.783 0.00 0.00 -0.243 OA BRANCH 13 15 ATOM 15 OXT LIG 1 -6.211 -2.370 2.922 0.00 0.00 -0.476 OA ATOM 16 HXT LIG 1 -6.317 -2.447 3.894 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 12 13 ENDBRANCH 1 2 BRANCH 1 19 ATOM 17 N LIG 1 -2.851 1.186 2.260 0.00 0.00 -0.309 N ATOM 18 H LIG 1 -3.506 1.109 1.492 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.043 0.088 2.520 0.00 0.00 +0.239 C ATOM 20 O LIG 1 -1.289 0.029 3.490 0.00 0.00 -0.273 OA BRANCH 17 22 ATOM 21 C LIG 1 -3.642 1.881 4.500 0.00 0.00 +0.031 C ATOM 22 C LIG 1 -3.026 2.331 3.167 0.00 0.00 +0.026 C ATOM 23 C LIG 1 -3.993 3.323 2.494 0.00 0.00 +0.031 C ATOM 24 C LIG 1 -1.694 3.057 3.415 0.00 0.00 +0.031 C ENDBRANCH 17 22 ENDBRANCH 1 19 BRANCH 1 25 ATOM 25 N LIG 1 -1.364 -2.270 1.751 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -1.679 -2.968 2.901 0.00 0.00 +0.329 C ATOM 27 O LIG 1 -1.447 -4.155 3.102 0.00 0.00 -0.279 OA BRANCH 25 28 ATOM 28 C LIG 1 -0.697 -3.007 0.681 0.00 0.00 +0.143 C BRANCH 28 29 ATOM 29 C LIG 1 0.405 -2.230 -0.002 0.00 0.00 -0.030 A ATOM 30 C LIG 1 0.537 -2.268 -1.395 0.00 0.00 +0.009 A ATOM 31 C LIG 1 1.563 -1.561 -2.026 0.00 0.00 +0.046 A ATOM 32 C LIG 1 2.483 -0.819 -1.282 0.00 0.00 +0.121 A ATOM 33 C LIG 1 2.371 -0.794 0.107 0.00 0.00 +0.046 A ATOM 34 C LIG 1 1.345 -1.502 0.743 0.00 0.00 +0.009 A BRANCH 32 35 ATOM 35 O LIG 1 3.432 -0.176 -2.026 0.00 0.00 -0.492 OA BRANCH 35 36 ATOM 36 C LIG 1 4.414 0.581 -1.317 0.00 0.00 +0.232 C BRANCH 36 37 ATOM 37 C LIG 1 5.395 1.189 -2.329 0.00 0.00 +0.027 C ATOM 38 C LIG 1 6.169 0.111 -3.099 0.00 0.00 +0.007 C ATOM 39 C LIG 1 7.065 0.715 -4.183 0.00 0.00 +0.000 C ATOM 40 C LIG 1 7.548 2.130 -3.863 0.00 0.00 +0.000 C ATOM 41 C LIG 1 7.689 2.352 -2.365 0.00 0.00 +0.000 C ATOM 42 C LIG 1 6.360 2.163 -1.629 0.00 0.00 +0.007 C ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 1 25 TORSDOF 11