REMARK Name = BDB002351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.047 0.269 -0.053 0.00 0.00 +0.156 C ATOM 2 C LIG 1 0.160 1.092 -1.331 0.00 0.00 +0.038 C ENDROOT BRANCH 1 4 ATOM 3 C LIG 1 -2.406 0.180 0.372 0.00 0.00 +0.234 C ATOM 4 N LIG 1 -1.148 0.636 0.699 0.00 0.00 -0.303 N ATOM 5 H LIG 1 -0.987 1.124 1.576 0.00 0.00 +0.149 HD ATOM 6 O LIG 1 -2.603 -0.516 -0.622 0.00 0.00 -0.274 OA BRANCH 3 7 ATOM 7 C LIG 1 -3.527 0.645 1.340 0.00 0.00 +0.161 C BRANCH 7 9 ATOM 8 C LIG 1 -5.583 -0.012 0.045 0.00 0.00 +0.230 C ATOM 9 N LIG 1 -4.712 0.946 0.536 0.00 0.00 -0.302 N ATOM 10 H LIG 1 -4.605 1.696 -0.147 0.00 0.00 +0.150 HD ATOM 11 O LIG 1 -5.686 -1.152 0.478 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 -6.478 0.561 -1.087 0.00 0.00 +0.137 C ATOM 13 C LIG 1 -7.119 -0.575 -1.885 0.00 0.00 +0.034 C BRANCH 12 15 ATOM 14 C LIG 1 -6.430 2.322 -2.787 0.00 0.00 +0.101 C ATOM 15 N LIG 1 -5.634 1.456 -1.925 0.00 0.00 -0.309 NA ATOM 16 H LIG 1 -5.020 0.870 -2.500 0.00 0.00 +0.122 HD ENDBRANCH 12 15 ENDBRANCH 8 12 ENDBRANCH 7 9 BRANCH 7 17 ATOM 17 C LIG 1 -3.738 -0.307 2.543 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -4.879 0.182 3.445 0.00 0.00 +0.009 C ATOM 19 C LIG 1 -2.470 -0.448 3.397 0.00 0.00 +0.009 C ENDBRANCH 7 17 ENDBRANCH 3 7 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 C LIG 1 1.264 0.497 0.872 0.00 0.00 +0.237 C ATOM 21 N LIG 1 2.455 0.041 0.332 0.00 0.00 -0.283 N ATOM 22 H LIG 1 2.386 -0.379 -0.583 0.00 0.00 +0.155 HD ATOM 23 O LIG 1 1.111 1.037 1.967 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 3.755 0.074 0.905 0.00 0.00 +0.041 A ATOM 25 C LIG 1 4.877 -0.379 0.133 0.00 0.00 +0.004 A ATOM 26 C LIG 1 6.164 -0.354 0.732 0.00 0.00 -0.016 A ATOM 27 C LIG 1 7.297 -0.784 0.020 0.00 0.00 +0.017 A ATOM 28 C LIG 1 7.208 -1.241 -1.302 0.00 0.00 -0.017 A ATOM 29 C LIG 1 5.949 -1.273 -1.927 0.00 0.00 -0.017 A ATOM 30 C LIG 1 5.856 -1.724 -3.256 0.00 0.00 +0.008 A ATOM 31 C LIG 1 6.995 -2.138 -3.952 0.00 0.00 +0.001 A ATOM 32 C LIG 1 8.239 -2.108 -3.330 0.00 0.00 +0.001 A ATOM 33 C LIG 1 8.346 -1.661 -2.012 0.00 0.00 +0.008 A ATOM 34 C LIG 1 6.322 0.105 2.045 0.00 0.00 +0.008 A ATOM 35 C LIG 1 5.230 0.553 2.780 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.813 -0.849 -1.209 0.00 0.00 +0.018 A ATOM 37 C LIG 1 3.958 0.537 2.213 0.00 0.00 +0.024 A ENDBRANCH 21 24 ENDBRANCH 1 20 TORSDOF 8