REMARK Name = BDB064501 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.398 0.176 0.713 0.00 0.00 -0.033 A ATOM 2 C LIG 1 -1.743 -1.179 0.764 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -2.869 -1.670 0.082 0.00 0.00 -0.008 A ATOM 4 C LIG 1 -3.157 -3.142 0.143 0.00 0.00 +0.047 C ATOM 5 C LIG 1 -3.697 -0.767 -0.607 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -3.330 0.583 -0.729 0.00 0.00 -0.008 A ATOM 7 C LIG 1 -4.117 1.565 -1.548 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -2.199 1.046 -0.038 0.00 0.00 +0.012 A ENDROOT BRANCH 1 9 ATOM 9 C LIG 1 -0.191 0.693 1.469 0.00 0.00 +0.119 C BRANCH 9 13 ATOM 10 N LIG 1 3.671 0.974 0.700 0.00 0.00 -0.313 N ATOM 11 C LIG 1 3.127 2.322 0.926 0.00 0.00 +0.122 C ATOM 12 C LIG 1 1.699 2.207 1.503 0.00 0.00 +0.103 C ATOM 13 N LIG 1 0.730 1.486 0.640 0.00 0.00 -0.295 NA ATOM 14 C LIG 1 1.428 0.675 -0.380 0.00 0.00 +0.103 C ATOM 15 C LIG 1 2.752 0.011 0.068 0.00 0.00 +0.122 C BRANCH 10 19 ATOM 16 C LIG 1 7.735 0.819 -0.277 0.00 0.00 +0.138 A ATOM 17 C LIG 1 7.021 1.997 -0.121 0.00 0.00 +0.158 A ATOM 18 N LIG 1 5.704 2.067 0.193 0.00 0.00 -0.237 NA ATOM 19 C LIG 1 5.019 0.916 0.357 0.00 0.00 +0.122 A ATOM 20 C LIG 1 5.675 -0.311 0.233 0.00 0.00 +0.047 A ATOM 21 C LIG 1 7.036 -0.362 -0.090 0.00 0.00 +0.050 A BRANCH 16 23 ATOM 22 C LIG 1 9.798 -0.256 -0.738 0.00 0.00 +0.277 C ATOM 23 O LIG 1 9.054 0.948 -0.594 0.00 0.00 -0.494 OA ENDBRANCH 16 23 ENDBRANCH 10 19 ENDBRANCH 9 13 ENDBRANCH 1 9 BRANCH 5 24 ATOM 24 O LIG 1 -4.822 -1.222 -1.245 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 -6.018 -1.247 -0.446 0.00 0.00 +0.200 C ATOM 26 C LIG 1 -6.582 -2.678 -0.549 0.00 0.00 +0.067 C ATOM 27 C LIG 1 -7.047 -0.334 -1.139 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 -5.945 -0.884 1.063 0.00 0.00 +0.348 C ATOM 29 O LIG 1 -5.834 -1.666 1.996 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 -5.996 0.443 1.315 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -5.850 0.502 2.282 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8