REMARK Name = BDB048423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.737 1.307 0.397 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.378 2.080 0.730 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.670 1.598 0.511 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.868 0.328 -0.045 0.00 0.00 -0.033 A ATOM 5 C LIG 1 -0.747 -0.446 -0.375 0.00 0.00 +0.008 A ATOM 6 C LIG 1 0.547 0.041 -0.156 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.942 1.899 0.659 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 3.116 1.168 0.298 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 4.331 2.020 0.652 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 6.515 2.905 -1.750 0.00 0.00 +0.088 C ATOM 11 C LIG 1 6.473 1.791 -0.788 0.00 0.00 +0.126 A ATOM 12 C LIG 1 5.602 1.398 0.206 0.00 0.00 +0.086 A ATOM 13 N LIG 1 6.072 0.247 0.797 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 7.196 -0.016 0.156 0.00 0.00 +0.228 A ATOM 15 O LIG 1 7.497 0.889 -0.829 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 8.135 -1.118 0.352 0.00 0.00 +0.037 A ATOM 17 C LIG 1 7.886 -2.070 1.352 0.00 0.00 +0.013 A ATOM 18 C LIG 1 8.765 -3.135 1.563 0.00 0.00 +0.001 A ATOM 19 C LIG 1 9.906 -3.262 0.774 0.00 0.00 +0.000 A ATOM 20 C LIG 1 10.169 -2.326 -0.224 0.00 0.00 +0.001 A ATOM 21 C LIG 1 9.289 -1.260 -0.434 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.270 -0.193 -0.283 0.00 0.00 +0.120 C BRANCH 22 23 ATOM 23 N LIG 1 -4.012 0.581 -1.294 0.00 0.00 -0.284 NA BRANCH 23 24 ATOM 24 C LIG 1 -5.431 0.186 -1.353 0.00 0.00 +0.121 C BRANCH 24 25 ATOM 25 C LIG 1 -6.222 0.620 -0.128 0.00 0.00 -0.026 A ATOM 26 C LIG 1 -6.763 -0.293 0.825 0.00 0.00 -0.013 A ATOM 27 C LIG 1 -7.499 0.231 1.921 0.00 0.00 -0.018 A ATOM 28 C LIG 1 -8.052 -0.633 2.881 0.00 0.00 +0.008 A ATOM 29 C LIG 1 -7.891 -2.013 2.785 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.170 -2.547 1.727 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -7.673 1.615 2.056 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -7.131 2.499 1.129 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.614 -1.701 0.763 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -6.412 2.005 0.048 0.00 0.00 +0.005 A ENDBRANCH 24 25 ENDBRANCH 23 24 BRANCH 23 35 ATOM 35 C LIG 1 -3.390 0.532 -2.637 0.00 0.00 +0.206 C BRANCH 35 36 ATOM 36 C LIG 1 -3.386 -0.852 -3.270 0.00 0.00 +0.319 C ATOM 37 O LIG 1 -2.667 -1.795 -2.978 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -4.332 -0.995 -4.223 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -4.222 -1.919 -4.529 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 23 35 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12