REMARK Name = BDB021549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.752 3.768 -1.625 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.374 2.302 -1.425 0.00 0.00 +0.188 C ATOM 3 O LIG 1 1.048 2.258 -1.371 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 1.676 1.050 -1.264 0.00 0.00 +0.137 A ATOM 5 C LIG 1 1.145 -0.248 -1.278 0.00 0.00 +0.079 A ATOM 6 C LIG 1 2.042 -1.337 -1.153 0.00 0.00 +0.020 A ATOM 7 C LIG 1 3.419 -1.151 -1.018 0.00 0.00 +0.046 A ATOM 8 C LIG 1 3.924 0.138 -0.986 0.00 0.00 +0.124 A ATOM 9 C LIG 1 -0.290 -0.660 -1.406 0.00 0.00 +0.250 C ATOM 10 O LIG 1 -0.615 -1.738 -0.903 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -1.202 0.118 -2.115 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.067 1.223 -1.133 0.00 0.00 +0.092 A ATOM 13 C LIG 1 -0.887 1.455 -2.586 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 O LIG 1 5.265 0.384 -0.896 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 5.825 -0.001 0.375 0.00 0.00 +0.176 C ATOM 16 C LIG 1 7.261 -0.482 0.130 0.00 0.00 +0.060 C ATOM 17 C LIG 1 8.265 0.637 0.390 0.00 0.00 +0.087 C ATOM 18 N LIG 1 8.229 1.080 1.792 0.00 0.00 -0.305 NA ATOM 19 C LIG 1 8.937 2.349 1.946 0.00 0.00 +0.104 C ATOM 20 C LIG 1 6.877 1.132 2.365 0.00 0.00 +0.087 C ATOM 21 C LIG 1 5.775 1.209 1.316 0.00 0.00 +0.060 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 22 ATOM 22 C LIG 1 -2.612 -0.308 -2.151 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -3.513 0.447 -1.149 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.969 0.416 0.177 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -3.694 0.275 0.810 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.989 -0.033 -1.189 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -5.234 -1.487 -1.150 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.681 -2.182 0.027 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -5.426 -1.904 1.313 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.793 -1.568 1.289 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.476 -1.356 2.493 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -6.812 -1.492 3.712 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.463 -1.838 3.738 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.506 -1.372 -0.028 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -4.773 -2.048 2.545 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.671 -1.806 -1.246 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7