REMARK Name = BDB045410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.342 -1.397 0.108 0.00 0.00 +0.052 C ATOM 2 C LIG 1 -1.234 -2.362 0.926 0.00 0.00 +0.140 C ATOM 3 C LIG 1 -0.786 -3.833 0.794 0.00 0.00 +0.113 C ATOM 4 N LIG 1 -0.568 -4.266 -0.590 0.00 0.00 -0.313 NA ATOM 5 H LIG 1 -0.280 -5.244 -0.603 0.00 0.00 +0.122 HD ATOM 6 C LIG 1 0.426 -3.444 -1.266 0.00 0.00 +0.081 C ATOM 7 C LIG 1 0.034 -1.970 -1.271 0.00 0.00 +0.026 C ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 2.848 0.289 2.397 0.00 0.00 +0.215 A ATOM 9 N LIG 1 1.804 1.062 2.049 0.00 0.00 -0.221 NA ATOM 10 C LIG 1 0.830 0.477 1.317 0.00 0.00 +0.118 A ATOM 11 C LIG 1 0.831 -0.861 0.911 0.00 0.00 -0.023 A ATOM 12 C LIG 1 1.928 -1.629 1.307 0.00 0.00 +0.010 A ATOM 13 C LIG 1 2.953 -1.048 2.053 0.00 0.00 +0.067 A BRANCH 8 14 ATOM 14 O LIG 1 3.893 0.815 3.129 0.00 0.00 -0.476 OA BRANCH 14 15 ATOM 15 C LIG 1 3.740 2.187 3.502 0.00 0.00 +0.233 C BRANCH 15 16 ATOM 16 C LIG 1 4.189 3.139 2.397 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 5.632 2.882 1.968 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 6.102 3.893 1.072 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 5.646 3.731 -0.276 0.00 0.00 +0.198 C BRANCH 19 21 ATOM 20 C LIG 1 5.752 1.540 -1.580 0.00 0.00 +0.125 A ATOM 21 C LIG 1 6.407 2.640 -0.996 0.00 0.00 +0.020 A ATOM 22 C LIG 1 7.809 2.734 -1.081 0.00 0.00 +0.009 A ATOM 23 C LIG 1 8.551 1.755 -1.738 0.00 0.00 +0.001 A ATOM 24 C LIG 1 7.898 0.673 -2.321 0.00 0.00 +0.004 A ATOM 25 C LIG 1 6.506 0.564 -2.243 0.00 0.00 +0.046 A BRANCH 20 27 ATOM 26 C LIG 1 3.722 0.306 -1.798 0.00 0.00 +0.277 C ATOM 27 O LIG 1 4.387 1.516 -1.462 0.00 0.00 -0.495 OA ENDBRANCH 20 27 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 1 11 BRANCH 2 28 ATOM 28 O LIG 1 -2.592 -2.273 0.456 0.00 0.00 -0.370 OA BRANCH 28 29 ATOM 29 C LIG 1 -3.351 -1.250 1.106 0.00 0.00 +0.199 C BRANCH 29 30 ATOM 30 C LIG 1 -4.563 -0.869 0.289 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -5.258 0.321 0.560 0.00 0.00 +0.133 A ATOM 32 C LIG 1 -6.346 0.751 -0.237 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -6.802 -0.093 -1.280 0.00 0.00 +0.027 A ATOM 34 C LIG 1 -7.902 0.334 -2.057 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -8.531 1.561 -1.833 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -8.070 2.394 -0.826 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -6.143 -1.327 -1.516 0.00 0.00 +0.128 A ATOM 38 C LIG 1 -6.990 1.994 -0.040 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -5.037 -1.695 -0.740 0.00 0.00 +0.055 A BRANCH 31 40 ATOM 40 O LIG 1 -4.811 1.114 1.598 0.00 0.00 -0.494 OA ATOM 41 C LIG 1 -5.542 0.821 2.791 0.00 0.00 +0.277 C ENDBRANCH 31 40 BRANCH 37 42 ATOM 42 O LIG 1 -6.650 -2.098 -2.538 0.00 0.00 -0.494 OA ATOM 43 C LIG 1 -5.992 -3.324 -2.830 0.00 0.00 +0.277 C ENDBRANCH 37 42 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 14