REMARK Name = BDB052347 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.459 4.132 -0.703 0.00 0.00 -0.271 N ATOM 2 N LIG 1 0.691 3.526 -1.034 0.00 0.00 -0.171 NA ATOM 3 C LIG 1 0.729 2.422 -0.266 0.00 0.00 +0.100 A ATOM 4 C LIG 1 -0.431 2.354 0.569 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.168 3.476 0.256 0.00 0.00 +0.117 A ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 -0.811 1.423 1.607 0.00 0.00 -0.002 A ATOM 7 C LIG 1 -2.020 0.707 1.511 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.303 -0.179 2.542 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -3.504 -0.772 2.273 0.00 0.00 -0.339 N ATOM 10 H LIG 1 -3.919 -1.472 2.869 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -4.022 -0.310 1.082 0.00 0.00 +0.049 A ATOM 12 N LIG 1 -1.555 -0.443 3.629 0.00 0.00 -0.237 NA ATOM 13 C LIG 1 -0.406 0.270 3.666 0.00 0.00 +0.114 A ATOM 14 C LIG 1 -3.102 0.607 0.591 0.00 0.00 +0.038 A ATOM 15 C LIG 1 0.009 1.189 2.713 0.00 0.00 +0.029 A BRANCH 11 16 ATOM 16 C LIG 1 -5.290 -0.781 0.523 0.00 0.00 -0.002 A ATOM 17 C LIG 1 -6.353 -1.164 1.351 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -7.563 -1.618 0.807 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -7.735 -1.698 -0.574 0.00 0.00 +0.033 A ATOM 20 C LIG 1 -6.678 -1.310 -1.405 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -5.470 -0.856 -0.862 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 N LIG 1 -8.918 -2.143 -1.199 0.00 0.00 -0.286 N ATOM 23 H LIG 1 -8.909 -2.144 -2.211 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 -10.075 -2.591 -0.588 0.00 0.00 +0.214 C ATOM 25 O LIG 1 -10.279 -2.707 0.615 0.00 0.00 -0.276 OA ATOM 26 C LIG 1 -11.133 -2.986 -1.590 0.00 0.00 +0.109 C ENDBRANCH 19 22 ENDBRANCH 11 16 ENDBRANCH 4 6 BRANCH 3 27 ATOM 27 C LIG 1 1.856 1.492 -0.350 0.00 0.00 +0.003 A ATOM 28 C LIG 1 1.662 0.108 -0.279 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.752 -0.767 -0.345 0.00 0.00 +0.024 A ATOM 30 C LIG 1 4.057 -0.277 -0.484 0.00 0.00 +0.035 A ATOM 31 C LIG 1 4.250 1.101 -0.577 0.00 0.00 +0.024 A ATOM 32 C LIG 1 3.159 1.977 -0.512 0.00 0.00 +0.012 A BRANCH 30 33 ATOM 33 N LIG 1 5.099 -1.225 -0.550 0.00 0.00 -0.269 N ATOM 34 H LIG 1 4.823 -2.191 -0.459 0.00 0.00 +0.156 HD ATOM 35 C LIG 1 6.465 -0.982 -0.500 0.00 0.00 +0.308 C ATOM 36 N LIG 1 7.163 -2.158 -0.739 0.00 0.00 -0.269 N ATOM 37 H LIG 1 6.633 -2.902 -1.164 0.00 0.00 +0.156 HD ATOM 38 O LIG 1 6.976 0.107 -0.275 0.00 0.00 -0.252 OA BRANCH 36 39 ATOM 39 C LIG 1 8.556 -2.361 -0.661 0.00 0.00 +0.035 A ATOM 40 C LIG 1 9.452 -1.430 -0.134 0.00 0.00 +0.023 A ATOM 41 C LIG 1 10.821 -1.713 -0.081 0.00 0.00 +0.002 A ATOM 42 C LIG 1 11.305 -2.933 -0.549 0.00 0.00 +0.000 A ATOM 43 C LIG 1 10.419 -3.872 -1.069 0.00 0.00 +0.002 A ATOM 44 C LIG 1 9.052 -3.589 -1.122 0.00 0.00 +0.023 A ENDBRANCH 36 39 ENDBRANCH 30 33 ENDBRANCH 3 27 BRANCH 1 46 ATOM 45 C LIG 1 -0.154 6.577 -0.708 0.00 0.00 +0.029 C ATOM 46 C LIG 1 -0.826 5.377 -1.351 0.00 0.00 +0.140 C ENDBRANCH 1 46 TORSDOF 7