REMARK Name = BDB060932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.167 -0.708 -0.115 0.00 0.00 +0.082 A ATOM 2 C LIG 1 -0.557 0.304 -0.742 0.00 0.00 +0.127 A ATOM 3 N LIG 1 -1.793 -0.286 -1.001 0.00 0.00 -0.288 N ATOM 4 C LIG 1 -1.812 -1.494 -0.310 0.00 0.00 +0.140 A ATOM 5 C LIG 1 -3.010 -2.262 -0.336 0.00 0.00 +0.055 A ATOM 6 C LIG 1 -4.070 -1.874 -1.082 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -3.969 -0.641 -1.873 0.00 0.00 +0.027 A ATOM 8 C LIG 1 -2.856 0.107 -1.814 0.00 0.00 +0.095 A ATOM 9 N LIG 1 -0.644 -1.767 0.222 0.00 0.00 -0.231 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.276 -2.643 -1.122 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -5.876 -3.173 -2.243 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.567 -3.183 -3.687 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.003 -3.837 -1.870 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.157 -3.763 -0.498 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -6.118 -3.045 -0.051 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.983 -2.767 1.399 0.00 0.00 +0.070 C ENDBRANCH 6 10 BRANCH 2 17 ATOM 17 N LIG 1 -0.146 1.542 -1.174 0.00 0.00 -0.324 N ATOM 18 H LIG 1 0.869 1.647 -1.212 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -0.767 2.845 -0.796 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -1.978 2.740 0.132 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -1.223 3.498 -2.128 0.00 0.00 +0.031 C BRANCH 19 22 ATOM 22 C LIG 1 0.333 3.818 -0.226 0.00 0.00 +0.031 C BRANCH 22 23 ATOM 23 C LIG 1 0.848 3.771 1.247 0.00 0.00 -0.036 C ATOM 24 C LIG 1 1.281 2.373 1.685 0.00 0.00 +0.010 C ATOM 25 C LIG 1 2.091 4.694 1.322 0.00 0.00 +0.010 C ATOM 26 C LIG 1 -0.179 4.324 2.251 0.00 0.00 +0.010 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 17 19 ENDBRANCH 2 17 BRANCH 1 27 ATOM 27 C LIG 1 1.614 -0.763 0.243 0.00 0.00 +0.063 C BRANCH 27 28 ATOM 28 C LIG 1 2.278 -2.069 -0.202 0.00 0.00 +0.041 C BRANCH 28 32 ATOM 29 C LIG 1 6.503 -2.060 0.722 0.00 0.00 +0.120 A ATOM 30 C LIG 1 6.036 -1.498 -0.469 0.00 0.00 +0.046 A ATOM 31 C LIG 1 4.673 -1.504 -0.774 0.00 0.00 +0.007 A ATOM 32 C LIG 1 3.755 -2.077 0.113 0.00 0.00 -0.047 A ATOM 33 C LIG 1 4.224 -2.632 1.310 0.00 0.00 +0.007 A ATOM 34 C LIG 1 5.590 -2.626 1.612 0.00 0.00 +0.046 A BRANCH 29 36 ATOM 35 C LIG 1 8.389 -2.605 2.061 0.00 0.00 +0.277 C ATOM 36 O LIG 1 7.858 -1.988 0.895 0.00 0.00 -0.495 OA ENDBRANCH 29 36 ENDBRANCH 28 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9