REMARK Name = BDB022425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.346 2.062 -0.513 0.00 0.00 -0.035 A ATOM 2 C LIG 1 3.009 1.632 -0.584 0.00 0.00 +0.014 A ATOM 3 C LIG 1 2.205 1.492 0.565 0.00 0.00 +0.001 A ATOM 4 C LIG 1 2.786 1.800 1.807 0.00 0.00 +0.010 A ATOM 5 C LIG 1 4.106 2.247 1.897 0.00 0.00 +0.001 A ATOM 6 C LIG 1 4.876 2.384 0.746 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.807 1.032 0.451 0.00 0.00 +0.071 A ATOM 8 N LIG 1 0.567 0.102 -0.505 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -0.704 -0.357 -0.653 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -1.781 0.073 0.112 0.00 0.00 +0.052 A ATOM 11 C LIG 1 -1.518 1.034 1.086 0.00 0.00 +0.027 A ATOM 12 C LIG 1 -0.219 1.518 1.259 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 -3.109 -0.385 -0.018 0.00 0.00 -0.281 N ATOM 14 H LIG 1 -3.789 0.037 0.600 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 -3.574 -1.302 -0.932 0.00 0.00 +0.241 C ATOM 16 O LIG 1 -2.937 -1.844 -1.826 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 -5.030 -1.586 -0.827 0.00 0.00 +0.064 C ATOM 18 C LIG 1 -5.719 -1.626 0.325 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 -7.181 -1.953 0.409 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 -7.924 -0.872 1.067 0.00 0.00 -0.294 NA ATOM 21 C LIG 1 -7.976 0.347 0.223 0.00 0.00 +0.113 C ATOM 22 C LIG 1 -9.187 1.230 0.559 0.00 0.00 +0.175 C ATOM 23 O LIG 1 -10.435 0.578 0.288 0.00 0.00 -0.377 OA ATOM 24 C LIG 1 -10.370 -0.846 0.437 0.00 0.00 +0.175 C ATOM 25 C LIG 1 -9.293 -1.299 1.436 0.00 0.00 +0.113 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 5.170 3.704 -2.187 0.00 0.00 +0.022 C ATOM 27 C LIG 1 5.215 2.230 -1.754 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 4.830 1.327 -2.928 0.00 0.00 +0.225 C ATOM 29 N LIG 1 5.080 -0.009 -2.931 0.00 0.00 -0.268 N ATOM 30 H LIG 1 4.741 -0.489 -3.754 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 4.270 1.795 -3.929 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 5.682 -0.865 -2.047 0.00 0.00 +0.147 A ATOM 33 N LIG 1 5.727 -2.156 -2.396 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 6.320 -2.767 -1.361 0.00 0.00 -0.280 N ATOM 35 H LIG 1 6.435 -3.774 -1.395 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 6.698 -1.908 -0.376 0.00 0.00 +0.041 A ATOM 37 C LIG 1 6.303 -0.661 -0.797 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 7.404 -2.303 0.945 0.00 0.00 +0.037 C ATOM 39 C LIG 1 6.905 -1.718 2.239 0.00 0.00 +0.010 C ATOM 40 C LIG 1 8.239 -1.298 1.691 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9