REMARK Name = BDB020445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.805 -2.747 -0.074 0.00 0.00 +0.152 A ATOM 2 C LIG 1 0.455 -2.384 -0.011 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.451 -1.250 0.187 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.778 -1.922 0.060 0.00 0.00 -0.269 N ATOM 5 C LIG 1 -1.707 -3.387 -0.214 0.00 0.00 +0.157 C ATOM 6 C LIG 1 -2.965 -1.374 0.481 0.00 0.00 +0.304 C ATOM 7 N LIG 1 -2.920 -0.013 0.658 0.00 0.00 -0.291 N ATOM 8 H LIG 1 -2.408 0.440 -0.087 0.00 0.00 +0.151 HD ATOM 9 O LIG 1 -3.973 -2.041 0.692 0.00 0.00 -0.253 OA ATOM 10 C LIG 1 -0.245 -3.530 -0.224 0.00 0.00 +0.068 A ATOM 11 N LIG 1 0.642 -4.521 -0.416 0.00 0.00 -0.277 N ATOM 12 H LIG 1 0.492 -5.504 -0.623 0.00 0.00 +0.189 HD ATOM 13 N LIG 1 1.911 -4.064 -0.316 0.00 0.00 -0.158 NA ENDROOT BRANCH 5 14 ATOM 14 C LIG 1 -2.370 -3.768 -1.523 0.00 0.00 -0.021 A ATOM 15 C LIG 1 -3.478 -4.631 -1.514 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -4.107 -5.000 -2.704 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.643 -4.508 -3.921 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -2.553 -3.641 -3.950 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -1.923 -3.270 -2.760 0.00 0.00 +0.006 A ENDBRANCH 5 14 BRANCH 1 21 ATOM 20 C LIG 1 4.191 -2.197 -0.030 0.00 0.00 +0.249 C ATOM 21 N LIG 1 2.856 -1.873 0.101 0.00 0.00 -0.265 N ATOM 22 H LIG 1 2.602 -0.914 0.280 0.00 0.00 +0.157 HD ATOM 23 O LIG 1 4.679 -3.261 -0.390 0.00 0.00 -0.270 OA BRANCH 20 27 ATOM 24 C LIG 1 6.939 1.029 0.744 0.00 0.00 +0.034 A ATOM 25 C LIG 1 7.204 0.072 -0.243 0.00 0.00 +0.024 A ATOM 26 C LIG 1 6.306 -0.974 -0.483 0.00 0.00 +0.015 A ATOM 27 C LIG 1 5.126 -1.072 0.260 0.00 0.00 +0.037 A ATOM 28 C LIG 1 4.868 -0.134 1.265 0.00 0.00 +0.015 A ATOM 29 C LIG 1 5.769 0.914 1.499 0.00 0.00 +0.024 A BRANCH 24 31 ATOM 30 C LIG 1 7.826 3.116 1.798 0.00 0.00 +0.241 C ATOM 31 N LIG 1 7.893 2.054 0.920 0.00 0.00 -0.282 N ATOM 32 H LIG 1 8.708 1.995 0.325 0.00 0.00 +0.155 HD ATOM 33 O LIG 1 6.916 3.380 2.573 0.00 0.00 -0.271 OA BRANCH 30 35 ATOM 34 C LIG 1 9.149 5.079 2.475 0.00 0.00 +0.013 C ATOM 35 C LIG 1 9.037 3.985 1.711 0.00 0.00 +0.060 C ENDBRANCH 30 35 ENDBRANCH 24 31 ENDBRANCH 20 27 ENDBRANCH 1 21 BRANCH 7 36 ATOM 36 C LIG 1 -4.163 0.717 0.921 0.00 0.00 +0.119 C BRANCH 36 37 ATOM 37 C LIG 1 -3.935 2.004 1.708 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -5.038 2.798 2.072 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.870 3.979 2.800 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.596 4.381 3.191 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -2.493 3.598 2.863 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.661 2.417 2.134 0.00 0.00 +0.005 A ENDBRANCH 36 37 BRANCH 36 43 ATOM 43 C LIG 1 -4.910 0.920 -0.441 0.00 0.00 +0.111 C BRANCH 43 44 ATOM 44 N LIG 1 -4.027 1.358 -1.563 0.00 0.00 -0.306 NA ATOM 45 C LIG 1 -3.815 2.808 -1.543 0.00 0.00 +0.104 C ATOM 46 C LIG 1 -4.633 0.973 -2.842 0.00 0.00 +0.104 C ENDBRANCH 43 44 ENDBRANCH 36 43 ENDBRANCH 7 36 TORSDOF 9