REMARK Name = BDB016068 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.517 -1.242 -0.137 0.00 0.00 +0.131 A ATOM 2 C LIG 1 0.070 -2.555 -0.295 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.304 -2.718 -0.306 0.00 0.00 +0.125 A ATOM 4 N LIG 1 -2.190 -1.711 -0.191 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -1.670 -0.478 -0.072 0.00 0.00 +0.162 A ATOM 6 N LIG 1 -0.349 -0.213 -0.046 0.00 0.00 -0.212 NA ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 0.932 -3.713 -0.425 0.00 0.00 +0.024 A ATOM 8 C LIG 1 2.002 -3.816 -1.289 0.00 0.00 +0.116 A ATOM 9 N LIG 1 2.518 -5.067 -1.113 0.00 0.00 -0.274 N ATOM 10 C LIG 1 3.654 -5.642 -1.791 0.00 0.00 +0.172 C ATOM 11 N LIG 1 1.850 -5.795 -0.200 0.00 0.00 -0.179 NA ATOM 12 C LIG 1 0.881 -4.974 0.211 0.00 0.00 +0.143 A ENDBRANCH 2 7 BRANCH 5 13 ATOM 13 C LIG 1 -2.603 0.662 0.047 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -4.001 0.477 0.005 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.902 1.550 0.120 0.00 0.00 -0.014 A ATOM 16 C LIG 1 -4.390 2.843 0.275 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -3.014 3.058 0.319 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.134 1.979 0.206 0.00 0.00 +0.011 A BRANCH 15 19 ATOM 19 C LIG 1 -6.339 1.335 0.072 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -6.988 0.181 0.459 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -8.321 0.404 0.267 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -9.402 -0.514 0.529 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -8.595 1.629 -0.214 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -7.390 2.193 -0.332 0.00 0.00 +0.142 A ENDBRANCH 15 19 ENDBRANCH 5 13 BRANCH 1 25 ATOM 25 N LIG 1 1.895 -0.959 -0.116 0.00 0.00 -0.326 N ATOM 26 H LIG 1 2.379 -1.638 0.467 0.00 0.00 +0.148 HD BRANCH 25 29 ATOM 27 C LIG 1 4.294 1.984 -0.064 0.00 0.00 +0.099 C ATOM 28 C LIG 1 3.752 0.579 -0.353 0.00 0.00 +0.037 C ATOM 29 C LIG 1 2.309 0.419 0.148 0.00 0.00 +0.073 C ATOM 30 C LIG 1 2.233 0.738 1.648 0.00 0.00 +0.022 C ATOM 31 C LIG 1 2.772 2.134 1.951 0.00 0.00 +0.003 C ATOM 32 C LIG 1 4.193 2.317 1.426 0.00 0.00 +0.015 C BRANCH 27 33 ATOM 33 C LIG 1 5.735 2.107 -0.522 0.00 0.00 +0.310 C ATOM 34 O LIG 1 6.499 1.169 -0.704 0.00 0.00 -0.251 OA BRANCH 33 36 ATOM 35 C LIG 1 7.403 3.641 -1.115 0.00 0.00 +0.280 C ATOM 36 O LIG 1 6.057 3.421 -0.690 0.00 0.00 -0.468 OA ENDBRANCH 33 36 ENDBRANCH 27 33 ENDBRANCH 25 29 ENDBRANCH 1 25 TORSDOF 7