REMARK Name = BDB031840 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.378 1.165 -1.900 0.00 0.00 -0.041 A ATOM 2 C LIG 1 0.769 1.860 -0.837 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.457 1.397 -0.347 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -1.125 0.302 -0.877 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -2.317 0.175 -0.095 0.00 0.00 +0.154 A ATOM 6 N LIG 1 -2.358 1.107 0.861 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.542 -0.374 -1.965 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -1.252 1.835 0.674 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -1.089 2.623 1.291 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 0.696 0.070 -2.457 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 3.694 0.060 1.960 0.00 0.00 +0.120 A ATOM 12 C LIG 1 3.414 0.177 0.593 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.052 1.168 -0.143 0.00 0.00 -0.007 A ATOM 14 C LIG 1 3.977 1.588 -1.585 0.00 0.00 +0.081 C ATOM 15 C LIG 1 2.722 1.607 -2.436 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.971 2.722 -1.689 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.511 2.906 -0.428 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.207 3.607 -0.231 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.228 3.344 -2.706 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 3.817 0.590 -2.696 0.00 0.00 +0.031 C ATOM 21 C LIG 1 4.984 2.001 0.495 0.00 0.00 +0.038 A ATOM 22 C LIG 1 5.301 1.898 1.831 0.00 0.00 +0.027 A ATOM 23 C LIG 1 4.641 0.911 2.564 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 1.988 -1.554 2.320 0.00 0.00 +0.277 C ATOM 25 O LIG 1 3.121 -0.846 2.812 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -3.223 -0.802 -0.330 0.00 0.00 -0.279 N ATOM 27 H LIG 1 -3.088 -1.413 -1.127 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.522 -0.983 0.205 0.00 0.00 +0.171 A ATOM 29 C LIG 1 -5.198 -2.165 -0.124 0.00 0.00 +0.178 A ATOM 30 C LIG 1 -6.445 -2.325 0.446 0.00 0.00 +0.163 A ATOM 31 N LIG 1 -7.012 -1.429 1.278 0.00 0.00 -0.223 NA ATOM 32 C LIG 1 -6.278 -0.330 1.534 0.00 0.00 +0.234 A ATOM 33 N LIG 1 -5.063 -0.068 1.033 0.00 0.00 -0.200 NA BRANCH 29 34 ATOM 34 O LIG 1 -4.572 -3.029 -0.982 0.00 0.00 -0.490 OA ATOM 35 C LIG 1 -5.244 -4.255 -1.256 0.00 0.00 +0.277 C ENDBRANCH 29 34 BRANCH 32 36 ATOM 36 C LIG 1 -6.849 0.651 2.419 0.00 0.00 +0.140 C ATOM 37 N LIG 1 -7.330 1.433 3.135 0.00 0.00 -0.188 NA ENDBRANCH 32 36 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 6