REMARK Name = BDB003635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.670 -1.887 -1.003 0.00 0.00 -0.285 OA ATOM 2 C LIG 1 -1.442 -1.378 -0.214 0.00 0.00 +0.211 C ATOM 3 C LIG 1 -2.055 -2.117 0.889 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -3.389 -1.845 1.205 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.011 -2.569 2.227 0.00 0.00 +0.012 A ATOM 6 C LIG 1 -3.291 -3.544 2.923 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.960 -3.811 2.591 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.169 -0.855 0.421 0.00 0.00 +0.201 C ATOM 9 O LIG 1 -5.391 -0.864 0.455 0.00 0.00 -0.289 OA ATOM 10 C LIG 1 -3.420 0.123 -0.414 0.00 0.00 +0.210 C ATOM 11 C LIG 1 -1.337 -3.104 1.564 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -1.939 0.030 -0.411 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.196 1.092 -0.503 0.00 0.00 -0.245 NA ENDROOT BRANCH 10 14 ATOM 14 N LIG 1 -4.045 1.111 -1.159 0.00 0.00 -0.223 N ATOM 15 C LIG 1 -5.249 1.805 -0.910 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.418 2.587 -2.060 0.00 0.00 +0.084 A ATOM 17 C LIG 1 -6.489 3.443 -2.259 0.00 0.00 +0.029 A ATOM 18 C LIG 1 -7.416 3.505 -1.211 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -7.248 2.749 -0.034 0.00 0.00 +0.002 A ATOM 20 N LIG 1 -4.314 2.311 -2.834 0.00 0.00 -0.259 N ATOM 21 H LIG 1 -4.109 2.738 -3.743 0.00 0.00 +0.191 HD ATOM 22 C LIG 1 -6.154 1.886 0.151 0.00 0.00 +0.029 A ATOM 23 N LIG 1 -3.461 1.459 -2.313 0.00 0.00 -0.088 NA ENDBRANCH 10 14 BRANCH 13 24 ATOM 24 C LIG 1 0.197 0.964 -0.396 0.00 0.00 +0.065 A ATOM 25 C LIG 1 0.815 1.152 0.846 0.00 0.00 +0.031 A ATOM 26 C LIG 1 2.198 1.018 0.973 0.00 0.00 +0.048 A ATOM 27 C LIG 1 2.954 0.688 -0.149 0.00 0.00 +0.132 A ATOM 28 C LIG 1 2.362 0.549 -1.402 0.00 0.00 +0.048 A ATOM 29 C LIG 1 0.979 0.693 -1.523 0.00 0.00 +0.031 A BRANCH 27 30 ATOM 30 O LIG 1 4.341 0.558 -0.061 0.00 0.00 -0.422 OA BRANCH 30 31 ATOM 31 C LIG 1 4.743 -0.600 0.575 0.00 0.00 +0.347 C ATOM 32 O LIG 1 4.054 -1.421 1.160 0.00 0.00 -0.244 OA BRANCH 31 33 ATOM 33 C LIG 1 6.219 -0.649 0.560 0.00 0.00 +0.089 A ATOM 34 C LIG 1 7.000 -0.419 -0.578 0.00 0.00 +0.140 A ATOM 35 C LIG 1 8.400 -0.429 -0.514 0.00 0.00 +0.033 A ATOM 36 C LIG 1 9.025 -0.694 0.705 0.00 0.00 +0.002 A ATOM 37 C LIG 1 8.258 -0.955 1.843 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.862 -0.936 1.773 0.00 0.00 +0.017 A BRANCH 34 39 ATOM 39 N LIG 1 6.384 -0.221 -1.876 0.00 0.00 +0.057 N ATOM 40 O LIG 1 5.532 -1.045 -2.231 0.00 0.00 -0.126 OA ATOM 41 O LIG 1 6.766 0.752 -2.539 0.00 0.00 -0.126 OA ENDBRANCH 34 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 13 24 TORSDOF 6