REMARK Name = BDB024342 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.122 0.498 -1.465 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.908 1.156 -2.822 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.353 0.447 -3.900 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.154 1.070 -5.133 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.516 2.404 -5.308 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.085 3.115 -4.254 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.284 2.495 -3.019 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 1.225 0.575 -0.772 0.00 0.00 -0.269 N ATOM 9 H LIG 1 1.127 1.535 -1.071 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.153 -0.275 -0.999 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.143 -1.498 -0.867 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.982 -0.475 0.703 0.00 0.00 +0.041 A ATOM 13 C LIG 1 3.927 -1.373 0.624 0.00 0.00 +0.124 A ATOM 14 N LIG 1 2.693 -1.062 0.149 0.00 0.00 -0.239 NA ATOM 15 C LIG 1 2.477 0.191 -0.281 0.00 0.00 +0.125 A ATOM 16 C LIG 1 3.472 1.163 -0.236 0.00 0.00 +0.044 A ATOM 17 C LIG 1 4.734 0.825 0.259 0.00 0.00 +0.016 A BRANCH 12 22 ATOM 18 C LIG 1 9.680 -0.362 2.154 0.00 0.00 +0.112 C ATOM 19 C LIG 1 8.291 -0.715 1.816 0.00 0.00 +0.225 A ATOM 20 O LIG 1 7.909 -1.998 2.061 0.00 0.00 -0.338 OA ATOM 21 N LIG 1 6.576 -2.096 1.668 0.00 0.00 -0.056 NA ATOM 22 C LIG 1 6.281 -0.863 1.223 0.00 0.00 +0.203 A ATOM 23 N LIG 1 7.335 0.025 1.304 0.00 0.00 -0.192 NA ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.302 -0.399 -1.525 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -1.958 -1.269 -1.945 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.823 -0.735 -0.190 0.00 0.00 +0.089 C BRANCH 26 27 ATOM 27 C LIG 1 -4.150 -0.005 0.132 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -4.002 1.519 0.189 0.00 0.00 +0.014 C BRANCH 27 29 ATOM 29 C LIG 1 -4.756 -0.533 1.428 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.989 -1.203 1.395 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.564 -1.697 2.569 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.913 -1.530 3.793 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.684 -0.866 3.838 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.110 -0.372 2.663 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -6.503 -2.035 4.998 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.982 -2.440 5.975 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9