REMARK Name = BDB030667 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.920 1.906 0.026 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -2.733 0.517 -0.182 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.445 -0.016 -0.288 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -0.324 0.825 -0.189 0.00 0.00 +0.069 A ATOM 5 C LIG 1 -0.503 2.198 0.020 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -1.792 2.729 0.128 0.00 0.00 +0.027 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -7.186 5.162 0.849 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -5.878 4.671 1.276 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.854 4.845 0.222 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -4.575 3.597 -0.647 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -4.237 2.404 0.163 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -4.640 2.490 1.589 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -5.973 3.259 1.714 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 N LIG 1 0.980 0.272 -0.300 0.00 0.00 -0.219 N ATOM 15 N LIG 1 1.186 -1.055 -0.501 0.00 0.00 -0.060 NA ATOM 16 N LIG 1 2.491 -1.278 -0.564 0.00 0.00 -0.124 NA ATOM 17 C LIG 1 3.135 -0.079 -0.402 0.00 0.00 +0.167 A ATOM 18 C LIG 1 2.194 0.913 -0.233 0.00 0.00 +0.149 A BRANCH 17 19 ATOM 19 C LIG 1 4.582 0.066 -0.410 0.00 0.00 +0.266 C ATOM 20 N LIG 1 5.250 -1.121 -0.613 0.00 0.00 -0.310 N ATOM 21 H LIG 1 4.686 -1.963 -0.678 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 5.139 1.147 -0.247 0.00 0.00 -0.268 OA BRANCH 20 23 ATOM 23 C LIG 1 6.694 -1.227 -0.572 0.00 0.00 +0.106 C BRANCH 23 24 ATOM 24 C LIG 1 7.201 -1.410 0.853 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 8.689 -1.768 0.966 0.00 0.00 +0.086 C BRANCH 25 26 ATOM 26 N LIG 1 9.578 -0.690 0.519 0.00 0.00 -0.298 NA ATOM 27 C LIG 1 10.782 -0.598 1.373 0.00 0.00 +0.112 C ATOM 28 C LIG 1 11.897 0.209 0.692 0.00 0.00 +0.175 C ATOM 29 O LIG 1 12.386 -0.421 -0.500 0.00 0.00 -0.377 OA ATOM 30 C LIG 1 11.408 -1.254 -1.134 0.00 0.00 +0.175 C ATOM 31 C LIG 1 9.962 -0.780 -0.906 0.00 0.00 +0.112 C ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 17 19 ENDBRANCH 4 14 BRANCH 2 32 ATOM 32 N LIG 1 -3.908 -0.248 -0.285 0.00 0.00 -0.279 N ATOM 33 H LIG 1 -4.772 0.293 -0.221 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -4.072 -1.601 -0.466 0.00 0.00 +0.269 C ATOM 35 O LIG 1 -3.175 -2.429 -0.580 0.00 0.00 -0.268 OA BRANCH 34 36 ATOM 36 C LIG 1 -5.499 -1.980 -0.506 0.00 0.00 +0.155 A ATOM 37 C LIG 1 -6.043 -3.285 -0.698 0.00 0.00 +0.032 A ATOM 38 C LIG 1 -7.424 -3.117 -0.655 0.00 0.00 +0.069 A ATOM 39 C LIG 1 -8.321 -4.184 -0.808 0.00 0.00 +0.028 A ATOM 40 C LIG 1 -7.780 -5.458 -1.010 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -6.402 -5.655 -1.056 0.00 0.00 +0.001 A ATOM 42 N LIG 1 -7.615 -1.776 -0.449 0.00 0.00 -0.266 N ATOM 43 C LIG 1 -8.887 -1.103 -0.335 0.00 0.00 +0.173 C ATOM 44 C LIG 1 -5.521 -4.578 -0.902 0.00 0.00 +0.012 A ATOM 45 N LIG 1 -6.478 -1.061 -0.349 0.00 0.00 -0.166 NA ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 9