REMARK Name = BDB054090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.474 1.461 0.612 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -0.165 1.430 0.195 0.00 0.00 -0.309 N ATOM 3 H LIG 1 0.138 0.649 -0.382 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.863 2.117 1.578 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 0.905 2.033 0.984 0.00 0.00 +0.090 C ATOM 6 C LIG 1 2.192 2.174 0.114 0.00 0.00 +0.077 C ATOM 7 N LIG 1 2.570 0.803 -0.324 0.00 0.00 -0.297 NA ATOM 8 C LIG 1 2.953 -0.025 0.842 0.00 0.00 +0.088 C ATOM 9 C LIG 1 2.696 0.721 2.169 0.00 0.00 +0.005 C ATOM 10 C LIG 1 3.591 1.969 2.194 0.00 0.00 +0.006 C ATOM 11 C LIG 1 3.298 2.829 0.961 0.00 0.00 +0.021 C ATOM 12 C LIG 1 1.224 1.166 2.222 0.00 0.00 +0.028 C BRANCH 7 13 ATOM 13 C LIG 1 3.579 0.796 -1.397 0.00 0.00 +0.089 C BRANCH 13 14 ATOM 14 C LIG 1 3.586 -0.497 -2.238 0.00 0.00 +0.050 C BRANCH 14 15 ATOM 15 C LIG 1 4.328 -1.665 -1.636 0.00 0.00 -0.046 A ATOM 16 C LIG 1 3.630 -2.803 -1.202 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.314 -3.884 -0.642 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.701 -3.843 -0.517 0.00 0.00 +0.000 A ATOM 19 C LIG 1 6.407 -2.721 -0.952 0.00 0.00 +0.000 A ATOM 20 C LIG 1 5.724 -1.637 -1.510 0.00 0.00 +0.003 A ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 7 13 ENDBRANCH 2 5 BRANCH 1 21 ATOM 21 C LIG 1 -2.431 0.570 -0.206 0.00 0.00 +0.162 C BRANCH 21 22 ATOM 22 C LIG 1 -3.469 1.431 -0.962 0.00 0.00 +0.018 C ATOM 23 C LIG 1 -4.531 0.547 -1.644 0.00 0.00 +0.006 C ATOM 24 C LIG 1 -5.533 1.373 -2.447 0.00 0.00 +0.000 C ATOM 25 C LIG 1 -4.838 2.263 -3.471 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -3.786 3.149 -2.816 0.00 0.00 +0.000 C ATOM 27 C LIG 1 -2.781 2.330 -2.010 0.00 0.00 +0.006 C ENDBRANCH 21 22 BRANCH 21 29 ATOM 28 C LIG 1 -2.442 -1.456 1.190 0.00 0.00 +0.230 C ATOM 29 N LIG 1 -3.064 -0.287 0.797 0.00 0.00 -0.302 N ATOM 30 H LIG 1 -3.587 0.209 1.512 0.00 0.00 +0.150 HD ATOM 31 O LIG 1 -1.480 -1.934 0.590 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 C LIG 1 -3.040 -2.091 2.463 0.00 0.00 +0.137 C ATOM 33 C LIG 1 -2.455 -1.387 3.685 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 34 C LIG 1 -3.550 -4.319 1.639 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -2.710 -3.531 2.537 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 -1.735 -3.634 2.236 0.00 0.00 +0.122 HD ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 21 29 ENDBRANCH 1 21 TORSDOF 9