REMARK Name = BDB026996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.914 -1.757 0.173 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.336 -2.909 -0.640 0.00 0.00 -0.023 A ATOM 3 C LIG 1 0.160 -4.084 -0.052 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.680 -5.112 -0.843 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.696 -4.990 -2.230 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.181 -3.846 -2.833 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.337 -2.817 -2.045 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.397 -1.893 0.195 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -2.604 -2.648 0.857 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.095 -0.682 0.645 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.170 0.401 -0.441 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -5.412 3.826 0.938 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -4.034 3.753 1.162 0.00 0.00 +0.019 A ATOM 14 C LIG 1 -3.308 2.647 0.712 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.951 1.606 0.030 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.334 1.683 -0.186 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -6.060 2.788 0.263 0.00 0.00 +0.019 A BRANCH 12 19 ATOM 18 N LIG 1 -6.759 5.881 1.772 0.00 0.00 -0.191 NA ATOM 19 C LIG 1 -6.157 4.961 1.399 0.00 0.00 +0.099 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 -0.355 -1.688 1.616 0.00 0.00 +0.188 C ATOM 21 O LIG 1 -0.951 -2.259 2.537 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 0.857 -0.930 1.916 0.00 0.00 +0.064 A ATOM 23 C LIG 1 1.846 -0.388 1.111 0.00 0.00 +0.077 A ATOM 24 N LIG 1 2.759 0.253 1.964 0.00 0.00 -0.239 N ATOM 25 C LIG 1 3.885 0.928 1.499 0.00 0.00 +0.121 A ATOM 26 C LIG 1 4.174 0.995 0.183 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.240 0.311 -0.717 0.00 0.00 +0.012 A ATOM 28 N LIG 1 2.391 0.123 3.260 0.00 0.00 -0.174 NA ATOM 29 C LIG 1 2.146 -0.342 -0.281 0.00 0.00 +0.029 A ATOM 30 C LIG 1 1.273 -0.596 3.225 0.00 0.00 +0.146 A BRANCH 26 31 ATOM 31 C LIG 1 5.326 1.682 -0.326 0.00 0.00 +0.021 A ATOM 32 C LIG 1 6.041 2.678 0.304 0.00 0.00 +0.113 A ATOM 33 N LIG 1 7.044 3.033 -0.552 0.00 0.00 -0.284 N ATOM 34 H LIG 1 7.764 3.736 -0.420 0.00 0.00 +0.188 HD ATOM 35 N LIG 1 7.035 2.339 -1.701 0.00 0.00 -0.182 NA ATOM 36 C LIG 1 5.993 1.514 -1.561 0.00 0.00 +0.142 A ENDBRANCH 26 31 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9