REMARK Name = BDB018127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.156 -0.662 -0.986 0.00 0.00 +0.216 C ATOM 2 N LIG 1 1.450 -0.539 -0.474 0.00 0.00 -0.301 N ATOM 3 C LIG 1 1.771 0.203 0.746 0.00 0.00 +0.108 C ATOM 4 C LIG 1 3.272 0.335 0.988 0.00 0.00 +0.030 C ATOM 5 C LIG 1 3.941 -1.038 0.898 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.574 -1.809 -0.377 0.00 0.00 +0.030 C ATOM 7 C LIG 1 2.564 -1.070 -1.254 0.00 0.00 +0.108 C ATOM 8 O LIG 1 -0.058 -1.198 -2.071 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 5.444 -1.027 1.163 0.00 0.00 +0.166 C ATOM 10 O LIG 1 5.955 -1.878 1.893 0.00 0.00 -0.292 OA BRANCH 9 11 ATOM 11 C LIG 1 6.344 -0.003 0.565 0.00 0.00 +0.018 A ATOM 12 C LIG 1 6.158 0.513 -0.721 0.00 0.00 +0.012 A ATOM 13 C LIG 1 7.048 1.466 -1.229 0.00 0.00 +0.015 A ATOM 14 C LIG 1 8.139 1.888 -0.462 0.00 0.00 +0.059 A ATOM 15 C LIG 1 8.332 1.377 0.826 0.00 0.00 +0.015 A ATOM 16 C LIG 1 7.440 0.426 1.330 0.00 0.00 +0.012 A BRANCH 14 17 ATOM 17 C LIG 1 9.051 2.905 -1.033 0.00 0.00 +0.337 C ATOM 18 O LIG 1 8.656 3.849 -1.692 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 10.352 2.651 -0.784 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 10.534 1.775 -0.396 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 14 17 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 21 ATOM 21 C LIG 1 -0.969 -0.095 -0.115 0.00 0.00 +0.102 C BRANCH 21 23 ATOM 22 C LIG 1 -2.675 0.428 -1.934 0.00 0.00 +0.012 C ATOM 23 C LIG 1 -2.442 -0.287 -0.590 0.00 0.00 -0.021 C ATOM 24 C LIG 1 -2.777 -1.784 -0.730 0.00 0.00 +0.012 C BRANCH 23 25 ATOM 25 C LIG 1 -3.342 0.350 0.525 0.00 0.00 +0.060 C BRANCH 25 26 ATOM 26 C LIG 1 -4.842 0.305 0.326 0.00 0.00 +0.020 A ATOM 27 N LIG 1 -5.410 1.313 -0.421 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -4.827 2.030 -0.836 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -6.757 1.446 -0.679 0.00 0.00 +0.257 A ATOM 30 O LIG 1 -7.195 2.370 -1.356 0.00 0.00 -0.267 OA ATOM 31 C LIG 1 -7.644 0.414 -0.090 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -7.071 -0.605 0.684 0.00 0.00 -0.011 A ATOM 33 C LIG 1 -7.901 -1.581 1.245 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -9.282 -1.536 1.032 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.843 -0.518 0.259 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -9.025 0.461 -0.305 0.00 0.00 +0.014 A ATOM 37 C LIG 1 -5.621 -0.630 0.893 0.00 0.00 +0.030 A ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8