REMARK Name = BDB000410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.411 -1.496 -0.083 0.00 0.00 +0.080 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.754 -1.806 -1.476 0.00 0.00 -0.325 NA ATOM 3 H LIG 1 1.931 -2.801 -1.596 0.00 0.00 +0.119 HD ATOM 4 H LIG 1 2.579 -1.295 -1.782 0.00 0.00 +0.119 HD ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 2.622 -1.636 0.889 0.00 0.00 +0.132 C BRANCH 5 6 ATOM 6 O LIG 1 3.106 -2.986 0.878 0.00 0.00 -0.390 OA ATOM 7 H LIG 1 3.344 -3.199 -0.040 0.00 0.00 +0.210 HD ENDBRANCH 5 6 BRANCH 5 8 ATOM 8 C LIG 1 3.824 -0.721 0.601 0.00 0.00 +0.046 C BRANCH 8 9 ATOM 9 C LIG 1 3.543 0.791 0.560 0.00 0.00 +0.080 C BRANCH 9 10 ATOM 10 C LIG 1 4.719 1.504 -0.117 0.00 0.00 +0.216 C ATOM 11 N LIG 1 5.930 1.428 0.530 0.00 0.00 -0.314 N ATOM 12 H LIG 1 6.043 0.821 1.330 0.00 0.00 +0.149 HD ATOM 13 O LIG 1 4.583 2.096 -1.186 0.00 0.00 -0.276 OA BRANCH 11 14 ATOM 14 C LIG 1 7.113 2.061 -0.026 0.00 0.00 +0.116 C BRANCH 14 15 ATOM 15 C LIG 1 7.714 1.255 -1.185 0.00 0.00 +0.089 C ATOM 16 C LIG 1 8.546 0.083 -0.666 0.00 0.00 +0.019 C BRANCH 15 17 ATOM 17 C LIG 1 8.544 2.179 -2.059 0.00 0.00 +0.215 C ATOM 18 O LIG 1 9.766 2.156 -2.126 0.00 0.00 -0.276 OA ATOM 19 N LIG 1 7.819 3.081 -2.783 0.00 0.00 -0.329 N ATOM 20 H LIG 1 8.318 3.680 -3.427 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 6.808 3.033 -2.852 0.00 0.00 +0.145 HD ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 9 10 BRANCH 9 22 ATOM 22 C LIG 1 3.172 1.496 1.896 0.00 0.00 -0.005 C ATOM 23 C LIG 1 1.651 1.565 2.090 0.00 0.00 +0.008 C ATOM 24 C LIG 1 3.815 0.908 3.155 0.00 0.00 +0.008 C ENDBRANCH 9 22 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 5 BRANCH 1 25 ATOM 25 C LIG 1 0.246 -2.412 0.371 0.00 0.00 +0.025 C BRANCH 25 26 ATOM 26 C LIG 1 -1.090 -2.207 -0.400 0.00 0.00 -0.003 C BRANCH 26 27 ATOM 27 C LIG 1 -2.088 -3.391 -0.188 0.00 0.00 -0.014 C ATOM 28 C LIG 1 -1.592 -4.679 -0.858 0.00 0.00 +0.007 C ATOM 29 C LIG 1 -2.424 -3.670 1.280 0.00 0.00 +0.007 C ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 C LIG 1 -1.715 -0.839 -0.014 0.00 0.00 +0.039 C BRANCH 30 35 ATOM 31 C LIG 1 -5.332 -0.004 -0.923 0.00 0.00 +0.162 A ATOM 32 C LIG 1 -5.207 0.314 -2.291 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -3.954 0.236 -2.905 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -2.828 -0.143 -2.171 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -2.938 -0.453 -0.812 0.00 0.00 -0.043 A ATOM 36 C LIG 1 -4.197 -0.380 -0.196 0.00 0.00 +0.053 A BRANCH 32 37 ATOM 37 O LIG 1 -6.365 0.684 -2.932 0.00 0.00 -0.491 OA ATOM 38 C LIG 1 -6.273 1.023 -4.308 0.00 0.00 +0.277 C ENDBRANCH 32 37 BRANCH 31 39 ATOM 39 O LIG 1 -6.595 0.108 -0.397 0.00 0.00 -0.488 OA BRANCH 39 40 ATOM 40 C LIG 1 -6.853 -0.361 0.923 0.00 0.00 +0.231 C BRANCH 40 41 ATOM 41 C LIG 1 -6.605 0.717 1.973 0.00 0.00 +0.069 C BRANCH 41 42 ATOM 42 C LIG 1 -7.347 2.011 1.665 0.00 0.00 +0.163 C BRANCH 42 44 ATOM 43 C LIG 1 -7.738 4.175 2.512 0.00 0.00 +0.193 C ATOM 44 O LIG 1 -7.136 2.910 2.756 0.00 0.00 -0.383 OA ENDBRANCH 42 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 31 39 ENDBRANCH 30 35 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 21