REMARK Name = BDB017453 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.597 -1.488 0.998 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.103 -2.801 1.108 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.730 -3.021 0.939 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.181 -2.003 0.689 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.454 -2.655 0.599 0.00 0.00 +0.102 A ATOM 6 N LIG 1 -1.323 -3.985 0.751 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.307 -0.688 0.576 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -0.011 -4.168 0.959 0.00 0.00 -0.276 N ATOM 9 H LIG 1 0.323 -5.113 1.104 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.681 -0.454 0.738 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.479 1.976 1.217 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.685 0.830 1.325 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.878 0.466 0.252 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.923 -0.676 0.049 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.063 -1.177 1.194 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.426 -0.502 -1.371 0.00 0.00 +0.231 C ATOM 17 N LIG 1 5.001 0.669 -1.856 0.00 0.00 -0.273 N ATOM 18 C LIG 1 4.801 1.177 -3.186 0.00 0.00 +0.138 C ATOM 19 O LIG 1 3.692 -1.281 -1.956 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.150 -2.052 0.606 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.877 1.246 -0.916 0.00 0.00 +0.040 A ATOM 22 C LIG 1 6.652 2.381 -1.048 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.456 2.741 0.036 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 8.385 1.735 3.405 0.00 0.00 +0.277 C ATOM 25 O LIG 1 8.319 2.461 2.183 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.765 -2.061 0.367 0.00 0.00 +0.021 A ATOM 27 C LIG 1 -3.133 -0.846 0.922 0.00 0.00 +0.123 A ATOM 28 N LIG 1 -4.334 -0.241 0.730 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 -5.252 -0.855 -0.050 0.00 0.00 +0.121 A ATOM 30 C LIG 1 -4.969 -2.101 -0.614 0.00 0.00 +0.044 A ATOM 31 C LIG 1 -3.725 -2.704 -0.409 0.00 0.00 +0.015 A BRANCH 29 32 ATOM 32 N LIG 1 -6.488 -0.249 -0.237 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -6.733 0.976 0.538 0.00 0.00 +0.122 C ATOM 34 C LIG 1 -8.178 1.476 0.307 0.00 0.00 +0.103 C ATOM 35 N LIG 1 -8.538 1.746 -1.105 0.00 0.00 -0.302 NA ATOM 36 C LIG 1 -8.606 3.178 -1.381 0.00 0.00 +0.105 C ATOM 37 C LIG 1 -7.599 1.082 -2.034 0.00 0.00 +0.103 C ATOM 38 C LIG 1 -7.124 -0.313 -1.564 0.00 0.00 +0.122 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4