REMARK Name = BDB060003 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.589 -1.766 -0.293 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.277 -3.105 -0.946 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.700 -3.362 -2.260 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.401 -4.578 -2.877 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.684 -5.554 -2.188 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.274 -5.320 -0.877 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.572 -4.106 -0.257 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.676 -0.891 -0.653 0.00 0.00 -0.268 N ATOM 9 H LIG 1 0.543 -1.316 -1.561 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.304 -1.109 0.303 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.235 -0.825 1.497 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.315 0.978 -0.156 0.00 0.00 +0.092 A ATOM 13 N LIG 1 4.056 0.381 -1.347 0.00 0.00 -0.250 NA ATOM 14 C LIG 1 2.844 -0.223 -1.450 0.00 0.00 +0.155 A ATOM 15 C LIG 1 1.900 -0.249 -0.423 0.00 0.00 +0.143 A ATOM 16 N LIG 1 2.162 0.352 0.749 0.00 0.00 -0.236 NA ATOM 17 C LIG 1 3.374 0.956 0.866 0.00 0.00 +0.141 A BRANCH 12 22 ATOM 18 C LIG 1 8.871 2.687 -1.112 0.00 0.00 +0.172 C ATOM 19 N LIG 1 7.621 2.375 -0.464 0.00 0.00 -0.274 N ATOM 20 N LIG 1 7.406 2.788 0.798 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 6.180 2.333 1.071 0.00 0.00 +0.144 A ATOM 22 C LIG 1 5.602 1.630 -0.010 0.00 0.00 +0.039 A ATOM 23 C LIG 1 6.574 1.680 -0.991 0.00 0.00 +0.118 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.615 -1.947 0.756 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -2.125 -1.966 1.657 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.625 -0.885 0.784 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.121 0.483 1.272 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -4.243 1.492 1.350 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -4.992 1.627 2.527 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.042 2.546 2.598 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -6.355 3.339 1.490 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -5.614 3.206 0.311 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.565 2.286 0.241 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -7.431 4.283 1.560 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -8.304 5.047 1.614 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9