REMARK Name = BDB045349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.692 -1.880 -1.092 0.00 0.00 +0.093 A ATOM 2 C LIG 1 2.565 -1.423 -0.055 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.772 -2.067 -0.297 0.00 0.00 +0.067 A ATOM 4 C LIG 1 4.908 -1.901 0.504 0.00 0.00 +0.031 A ATOM 5 C LIG 1 4.846 -1.014 1.595 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.629 -0.361 1.849 0.00 0.00 +0.005 A ATOM 7 N LIG 1 3.561 -2.818 -1.418 0.00 0.00 -0.276 N ATOM 8 H LIG 1 4.225 -3.421 -1.890 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 2.495 -0.544 1.042 0.00 0.00 +0.012 A ATOM 10 N LIG 1 2.330 -2.705 -1.936 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 6.053 -0.803 2.480 0.00 0.00 +0.040 C ATOM 12 C LIG 1 7.338 -0.191 1.961 0.00 0.00 +0.081 C ATOM 13 C LIG 1 7.590 0.275 0.554 0.00 0.00 -0.011 A ATOM 14 C LIG 1 8.921 -0.036 0.233 0.00 0.00 +0.038 A ATOM 15 C LIG 1 9.498 0.252 -0.986 0.00 0.00 +0.023 A ATOM 16 C LIG 1 8.698 0.890 -1.934 0.00 0.00 +0.002 A ATOM 17 C LIG 1 7.364 1.222 -1.639 0.00 0.00 +0.000 A ATOM 18 N LIG 1 9.533 -0.650 1.328 0.00 0.00 -0.284 N ATOM 19 H LIG 1 10.492 -0.959 1.367 0.00 0.00 +0.155 HD ATOM 20 C LIG 1 6.806 0.921 -0.391 0.00 0.00 +0.006 A ATOM 21 C LIG 1 8.666 -0.766 2.399 0.00 0.00 +0.228 C ATOM 22 O LIG 1 8.901 -1.242 3.497 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 6.472 0.589 2.907 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 -0.589 -1.237 -0.357 0.00 0.00 +0.010 C ATOM 25 C LIG 1 0.318 -1.531 -1.304 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 -4.700 -0.245 -1.078 0.00 0.00 +0.121 A ATOM 27 C LIG 1 -3.969 0.408 -0.088 0.00 0.00 +0.046 A ATOM 28 C LIG 1 -2.625 0.078 0.130 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -1.992 -0.904 -0.641 0.00 0.00 -0.025 A ATOM 30 C LIG 1 -2.737 -1.574 -1.616 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -4.079 -1.243 -1.832 0.00 0.00 +0.046 A BRANCH 26 32 ATOM 32 O LIG 1 -6.012 -0.032 -1.392 0.00 0.00 -0.489 OA BRANCH 32 37 ATOM 33 C LIG 1 -10.319 2.200 0.785 0.00 0.00 +0.104 C ATOM 34 N LIG 1 -9.600 1.402 -0.204 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 -8.751 0.375 0.413 0.00 0.00 +0.087 C ATOM 36 C LIG 1 -7.285 0.785 0.530 0.00 0.00 +0.060 C ATOM 37 C LIG 1 -6.681 1.112 -0.844 0.00 0.00 +0.176 C ATOM 38 C LIG 1 -7.761 1.519 -1.857 0.00 0.00 +0.060 C ATOM 39 C LIG 1 -8.894 2.262 -1.163 0.00 0.00 +0.087 C ENDBRANCH 32 37 ENDBRANCH 26 32 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 5