REMARK Name = BDB002349 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.798 -0.742 -0.523 0.00 0.00 +0.156 C ATOM 2 C LIG 1 0.916 -1.489 -1.847 0.00 0.00 +0.038 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -1.640 -0.393 -0.223 0.00 0.00 +0.234 C ATOM 4 N LIG 1 -0.390 0.101 -0.502 0.00 0.00 -0.303 N ATOM 5 H LIG 1 -0.247 1.094 -0.670 0.00 0.00 +0.149 HD ATOM 6 O LIG 1 -1.844 -1.583 0.019 0.00 0.00 -0.274 OA BRANCH 3 7 ATOM 7 C LIG 1 -2.772 0.658 -0.209 0.00 0.00 +0.161 C BRANCH 7 9 ATOM 8 C LIG 1 -5.083 0.267 -1.034 0.00 0.00 +0.230 C ATOM 9 N LIG 1 -4.037 -0.070 -0.205 0.00 0.00 -0.302 N ATOM 10 H LIG 1 -4.010 -1.001 0.200 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -5.071 1.262 -1.756 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -6.269 -0.722 -0.984 0.00 0.00 +0.137 C ATOM 13 C LIG 1 -5.955 -1.916 -1.881 0.00 0.00 +0.034 C BRANCH 12 15 ATOM 14 C LIG 1 -8.059 0.834 -0.459 0.00 0.00 +0.101 C ATOM 15 N LIG 1 -7.512 -0.078 -1.458 0.00 0.00 -0.309 NA ATOM 16 H LIG 1 -7.269 0.471 -2.289 0.00 0.00 +0.122 HD ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 7 9 BRANCH 7 17 ATOM 17 C LIG 1 -2.635 1.629 0.986 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -3.618 2.798 0.874 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -2.807 0.935 2.342 0.00 0.00 +0.009 C ENDBRANCH 7 17 ENDBRANCH 3 7 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 2.033 0.159 -0.294 0.00 0.00 +0.237 C ATOM 21 N LIG 1 3.188 -0.564 -0.032 0.00 0.00 -0.283 N ATOM 22 H LIG 1 3.062 -1.562 0.035 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.930 1.383 -0.360 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 4.505 -0.077 0.195 0.00 0.00 +0.041 A ATOM 25 C LIG 1 5.560 -1.009 0.504 0.00 0.00 +0.006 A ATOM 26 C LIG 1 6.880 -0.518 0.731 0.00 0.00 +0.014 A ATOM 27 C LIG 1 7.920 -1.441 1.023 0.00 0.00 +0.011 A ATOM 28 C LIG 1 7.691 -2.811 1.104 0.00 0.00 +0.001 A ATOM 29 C LIG 1 6.415 -3.299 0.894 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.086 0.879 0.642 0.00 0.00 +0.134 A ATOM 31 C LIG 1 6.068 1.778 0.330 0.00 0.00 +0.035 A ATOM 32 C LIG 1 5.373 -2.416 0.600 0.00 0.00 +0.010 A ATOM 33 C LIG 1 4.785 1.294 0.110 0.00 0.00 +0.026 A BRANCH 30 34 ATOM 34 N LIG 1 8.400 1.454 0.872 0.00 0.00 +0.057 N ATOM 35 O LIG 1 8.860 1.379 2.019 0.00 0.00 -0.126 OA ATOM 36 O LIG 1 8.953 1.994 -0.096 0.00 0.00 -0.126 OA ENDBRANCH 30 34 ENDBRANCH 21 24 ENDBRANCH 1 20 TORSDOF 9