REMARK Name = BDB060892 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.234 0.158 1.787 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -0.290 0.263 0.388 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.594 -0.432 -0.467 0.00 0.00 -0.042 A ATOM 4 C LIG 1 0.435 -0.228 -1.952 0.00 0.00 +0.035 C ATOM 5 C LIG 1 -0.013 -1.484 -2.696 0.00 0.00 +0.005 C ATOM 6 C LIG 1 0.886 -2.711 -2.529 0.00 0.00 +0.002 C ATOM 7 C LIG 1 2.337 -2.364 -2.210 0.00 0.00 +0.027 C ATOM 8 C LIG 1 2.577 -2.094 -0.711 0.00 0.00 +0.104 C ATOM 9 C LIG 1 1.580 -1.264 0.089 0.00 0.00 -0.024 A ATOM 10 C LIG 1 1.641 -1.366 1.496 0.00 0.00 +0.006 A ATOM 11 C LIG 1 0.756 -0.671 2.325 0.00 0.00 +0.009 A ENDROOT BRANCH 1 17 ATOM 12 C LIG 1 -4.541 0.787 1.546 0.00 0.00 +0.144 A ATOM 13 N LIG 1 -4.625 1.535 2.692 0.00 0.00 -0.323 N ATOM 14 H LIG 1 -5.453 1.942 3.093 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 -3.374 1.648 3.219 0.00 0.00 +0.159 A ATOM 16 C LIG 1 -2.548 0.946 2.353 0.00 0.00 +0.116 A ATOM 17 C LIG 1 -1.170 0.889 2.652 0.00 0.00 +0.013 A ATOM 18 C LIG 1 -0.772 1.569 3.819 0.00 0.00 +0.030 A ATOM 19 C LIG 1 -1.715 2.237 4.596 0.00 0.00 +0.114 A ATOM 20 N LIG 1 -3.043 2.307 4.342 0.00 0.00 -0.236 NA ATOM 21 N LIG 1 -3.294 0.418 1.321 0.00 0.00 -0.225 NA BRANCH 12 24 ATOM 22 C LIG 1 -7.794 1.562 1.783 0.00 0.00 +0.068 C ATOM 23 C LIG 1 -7.106 0.770 0.736 0.00 0.00 +0.071 A ATOM 24 C LIG 1 -5.739 0.423 0.617 0.00 0.00 +0.061 A ATOM 25 C LIG 1 -5.650 -0.338 -0.535 0.00 0.00 +0.047 A ATOM 26 C LIG 1 -4.488 -1.020 -1.165 0.00 0.00 +0.066 C ATOM 27 N LIG 1 -6.920 -0.350 -1.061 0.00 0.00 -0.265 N ATOM 28 N LIG 1 -7.823 0.279 -0.281 0.00 0.00 -0.175 NA BRANCH 27 29 ATOM 29 C LIG 1 -7.370 -0.964 -2.310 0.00 0.00 +0.101 C ATOM 30 C LIG 1 -8.264 -0.030 -3.128 0.00 0.00 +0.032 C ATOM 31 C LIG 1 -8.065 -2.297 -2.038 0.00 0.00 +0.032 C ENDBRANCH 27 29 ENDBRANCH 12 24 ENDBRANCH 1 17 BRANCH 8 32 ATOM 32 N LIG 1 3.947 -1.667 -0.443 0.00 0.00 -0.301 N ATOM 33 H LIG 1 4.456 -2.172 0.270 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 4.493 -0.472 -0.895 0.00 0.00 +0.302 C ATOM 35 O LIG 1 3.900 0.258 -1.685 0.00 0.00 -0.265 OA BRANCH 34 36 ATOM 36 C LIG 1 5.811 -0.174 -0.359 0.00 0.00 +0.313 A ATOM 37 O LIG 1 6.384 -1.037 0.534 0.00 0.00 -0.328 OA ATOM 38 N LIG 1 7.624 -0.497 0.873 0.00 0.00 -0.060 NA ATOM 39 C LIG 1 7.680 0.633 0.151 0.00 0.00 +0.178 A ATOM 40 N LIG 1 6.572 0.868 -0.624 0.00 0.00 -0.187 NA BRANCH 39 41 ATOM 41 C LIG 1 8.862 1.570 0.199 0.00 0.00 +0.025 C ATOM 42 C LIG 1 10.156 0.819 -0.173 0.00 0.00 +0.019 C ATOM 43 C LIG 1 9.012 2.158 1.615 0.00 0.00 +0.019 C ATOM 44 C LIG 1 8.686 2.739 -0.792 0.00 0.00 +0.019 C ENDBRANCH 39 41 ENDBRANCH 34 36 ENDBRANCH 8 32 TORSDOF 6