REMARK Name = BDB016069 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.753 -2.153 -1.012 0.00 0.00 +0.162 A ATOM 2 N LIG 1 1.461 -1.872 -0.762 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 0.577 -2.884 -0.676 0.00 0.00 +0.131 A ATOM 4 C LIG 1 0.986 -4.211 -0.820 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.332 -4.392 -1.091 0.00 0.00 +0.125 A ATOM 6 N LIG 1 3.231 -3.393 -1.198 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.139 1.396 -0.809 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.267 0.297 -0.773 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.693 -1.016 -1.070 0.00 0.00 +0.020 A ATOM 10 C LIG 1 5.046 -1.189 -1.411 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.928 -0.106 -1.456 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.476 1.179 -1.155 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 3.528 6.324 -0.623 0.00 0.00 +0.172 C ATOM 14 N LIG 1 3.388 4.904 -0.410 0.00 0.00 -0.274 N ATOM 15 N LIG 1 2.416 4.450 0.401 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 2.572 3.124 0.358 0.00 0.00 +0.142 A ATOM 17 C LIG 1 3.644 2.722 -0.474 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.150 3.912 -0.957 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 0.110 -5.361 -0.724 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -0.789 -5.594 0.296 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -1.381 -6.791 0.019 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.393 -7.461 0.798 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -0.925 -7.363 -1.110 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -0.011 -6.497 -1.555 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -0.775 -2.574 -0.400 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -1.351 -3.116 -1.041 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.128 -1.148 -0.409 0.00 0.00 +0.072 C ATOM 28 C LIG 1 -0.757 -0.489 0.924 0.00 0.00 +0.024 C ATOM 29 C LIG 1 -1.171 0.982 0.946 0.00 0.00 +0.021 C ATOM 30 C LIG 1 -2.688 1.169 0.714 0.00 0.00 +0.057 C ATOM 31 C LIG 1 -3.086 0.447 -0.596 0.00 0.00 +0.021 C ATOM 32 C LIG 1 -2.642 -1.015 -0.622 0.00 0.00 +0.024 C BRANCH 30 33 ATOM 33 N LIG 1 -3.099 2.586 0.633 0.00 0.00 -0.295 NA ATOM 34 C LIG 1 -2.412 3.489 1.579 0.00 0.00 +0.113 C ATOM 35 C LIG 1 -3.116 4.853 1.671 0.00 0.00 +0.175 C ATOM 36 O LIG 1 -4.446 4.763 2.200 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 -5.042 3.479 1.992 0.00 0.00 +0.175 C ATOM 38 C LIG 1 -4.566 2.787 0.703 0.00 0.00 +0.113 C ENDBRANCH 30 33 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 6