REMARK Name = BDB010266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.013 -1.811 -0.154 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -1.042 -1.301 0.619 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.357 -0.025 1.321 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.678 0.251 2.312 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -2.442 0.693 0.842 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -3.377 0.033 0.080 0.00 0.00 +0.119 A ATOM 7 N LIG 1 -3.203 -1.175 -0.368 0.00 0.00 -0.238 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.553 2.048 1.275 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -3.740 2.676 1.262 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -3.793 3.969 1.668 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -2.702 4.691 2.080 0.00 0.00 +0.156 A ATOM 12 C LIG 1 -1.528 3.983 2.042 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -1.432 2.696 1.641 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -2.651 5.979 2.501 0.00 0.00 -0.492 OA ATOM 15 C LIG 1 -3.892 6.668 2.594 0.00 0.00 +0.277 C ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 16 ATOM 16 C LIG 1 -4.718 0.640 -0.320 0.00 0.00 +0.071 C ATOM 17 C LIG 1 -5.764 0.419 0.760 0.00 0.00 +0.012 C ENDBRANCH 6 16 BRANCH 1 18 ATOM 18 C LIG 1 -1.889 -3.124 -0.904 0.00 0.00 +0.056 C BRANCH 18 19 ATOM 19 C LIG 1 -2.544 -4.274 -0.132 0.00 0.00 +0.006 C BRANCH 19 21 ATOM 20 C LIG 1 -2.984 -5.777 -2.149 0.00 0.00 +0.004 C ATOM 21 C LIG 1 -2.325 -5.642 -0.785 0.00 0.00 -0.003 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 2 22 ATOM 22 C LIG 1 0.297 -1.919 0.929 0.00 0.00 +0.079 C BRANCH 22 23 ATOM 23 C LIG 1 1.443 -1.217 0.242 0.00 0.00 -0.025 A ATOM 24 C LIG 1 2.186 -0.243 0.900 0.00 0.00 +0.115 A ATOM 25 N LIG 1 3.231 0.424 0.347 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 3.529 0.150 -0.948 0.00 0.00 +0.072 A ATOM 27 C LIG 1 2.833 -0.801 -1.687 0.00 0.00 +0.028 A ATOM 28 C LIG 1 1.786 -1.494 -1.082 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 C LIG 1 4.625 0.933 -1.532 0.00 0.00 +0.011 A ATOM 30 C LIG 1 5.984 0.769 -1.186 0.00 0.00 +0.030 A ATOM 31 C LIG 1 6.975 1.510 -1.855 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.633 2.436 -2.840 0.00 0.00 +0.001 A ATOM 33 C LIG 1 5.297 2.628 -3.170 0.00 0.00 +0.001 A ATOM 34 C LIG 1 4.307 1.885 -2.526 0.00 0.00 +0.011 A BRANCH 30 35 ATOM 35 C LIG 1 6.469 -0.170 -0.155 0.00 0.00 +0.183 A ATOM 36 N LIG 1 5.749 -0.447 0.936 0.00 0.00 -0.271 N ATOM 37 H LIG 1 4.829 -0.101 1.174 0.00 0.00 +0.174 HD ATOM 38 C LIG 1 6.456 -1.320 1.665 0.00 0.00 +0.440 A ATOM 39 O LIG 1 6.111 -1.832 2.719 0.00 0.00 -0.221 OA ATOM 40 O LIG 1 7.644 -1.556 1.019 0.00 0.00 -0.295 OA ATOM 41 N LIG 1 7.615 -0.768 -0.177 0.00 0.00 -0.054 NA ENDBRANCH 30 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 10