REMARK Name = BDB021647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.759 -1.076 -2.191 0.00 0.00 +0.053 C ATOM 2 C LIG 1 -0.199 -1.276 -0.786 0.00 0.00 +0.188 C ATOM 3 O LIG 1 1.215 -1.404 -0.820 0.00 0.00 -0.487 OA ATOM 4 C LIG 1 2.045 -0.327 -0.779 0.00 0.00 +0.133 A ATOM 5 C LIG 1 1.759 1.040 -0.740 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.841 1.950 -0.722 0.00 0.00 +0.017 A ATOM 7 C LIG 1 4.169 1.522 -0.735 0.00 0.00 +0.006 A ATOM 8 C LIG 1 4.461 0.162 -0.772 0.00 0.00 -0.030 A ATOM 9 C LIG 1 0.421 1.698 -0.723 0.00 0.00 +0.250 C ATOM 10 O LIG 1 0.321 2.831 -1.202 0.00 0.00 -0.270 OA ATOM 11 N LIG 1 -0.683 1.083 -0.157 0.00 0.00 -0.291 N ATOM 12 C LIG 1 3.393 -0.744 -0.793 0.00 0.00 +0.051 A ATOM 13 C LIG 1 -0.696 -0.303 0.279 0.00 0.00 +0.152 C ENDROOT BRANCH 8 14 ATOM 14 C LIG 1 5.894 -0.322 -0.786 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 6.593 0.003 0.463 0.00 0.00 -0.297 NA ATOM 16 C LIG 1 6.212 -0.941 1.558 0.00 0.00 +0.097 C ATOM 17 C LIG 1 7.676 -1.090 1.834 0.00 0.00 +0.043 C ATOM 18 C LIG 1 8.284 -0.426 3.024 0.00 0.00 +0.171 C ATOM 19 O LIG 1 8.847 -1.704 3.454 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 8.243 -2.378 2.311 0.00 0.00 +0.171 C ATOM 21 C LIG 1 7.970 -0.577 0.458 0.00 0.00 +0.097 C ENDBRANCH 14 15 ENDBRANCH 8 14 BRANCH 11 22 ATOM 22 C LIG 1 -1.899 1.885 0.081 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 -2.738 2.087 -1.200 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 -2.233 3.186 -1.973 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.253 3.180 -1.875 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -4.216 2.390 -0.871 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -4.921 1.313 -0.147 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -5.131 0.134 -1.014 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.000 -0.936 -0.388 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -6.868 -0.631 0.675 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.681 -1.633 1.221 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -7.654 -2.925 0.696 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -6.812 -3.226 -0.372 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.875 0.756 1.264 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -5.991 -2.237 -0.914 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.227 1.793 0.337 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 11 22 TORSDOF 7