REMARK Name = BDB024219 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.988 -1.400 0.123 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.855 -2.915 0.126 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.968 -3.632 1.328 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.814 -5.020 1.343 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.547 -5.706 0.160 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.436 -5.008 -1.041 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.589 -3.622 -1.059 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.640 -0.640 -0.121 0.00 0.00 +0.240 C ATOM 9 N LIG 1 -0.499 -1.320 0.239 0.00 0.00 -0.269 N ATOM 10 H LIG 1 -0.569 -2.277 0.564 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -1.658 0.521 -0.541 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 0.826 -0.895 0.168 0.00 0.00 +0.125 A ATOM 13 N LIG 1 1.706 -1.825 0.595 0.00 0.00 -0.238 NA ATOM 14 C LIG 1 3.025 -1.512 0.565 0.00 0.00 +0.139 A ATOM 15 C LIG 1 3.526 -0.293 0.126 0.00 0.00 +0.066 A ATOM 16 C LIG 1 2.598 0.654 -0.307 0.00 0.00 +0.031 A ATOM 17 C LIG 1 1.233 0.349 -0.286 0.00 0.00 +0.046 A BRANCH 15 18 ATOM 18 N LIG 1 4.920 -0.026 0.121 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.547 1.133 -0.285 0.00 0.00 +0.116 A ATOM 20 C LIG 1 6.903 0.937 -0.111 0.00 0.00 +0.065 A ATOM 21 N LIG 1 7.124 -0.320 0.394 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 5.936 -0.866 0.520 0.00 0.00 +0.204 A BRANCH 20 23 ATOM 23 C LIG 1 8.071 1.861 -0.387 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.851 2.118 0.918 0.00 0.00 +0.017 C ATOM 25 C LIG 1 7.612 3.221 -0.949 0.00 0.00 +0.017 C ATOM 26 C LIG 1 9.017 1.211 -1.415 0.00 0.00 +0.017 C ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 27 ATOM 27 N LIG 1 -3.962 -0.942 -0.894 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 -3.799 0.060 -1.042 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -5.366 -1.159 -0.523 0.00 0.00 +0.089 C BRANCH 29 31 ATOM 30 C LIG 1 -7.394 -0.567 0.869 0.00 0.00 +0.014 C ATOM 31 C LIG 1 -5.918 -0.243 0.601 0.00 0.00 +0.030 C BRANCH 31 32 ATOM 32 C LIG 1 -5.735 1.239 0.306 0.00 0.00 -0.043 A ATOM 33 C LIG 1 -6.327 1.846 -0.812 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -6.130 3.204 -1.075 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.336 3.976 -0.224 0.00 0.00 +0.052 A ATOM 36 C LIG 1 -4.742 3.382 0.893 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -4.942 2.025 1.156 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 -5.131 5.369 -0.494 0.00 0.00 +0.099 C ATOM 39 N LIG 1 -4.969 6.497 -0.710 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10