REMARK Name = BDB008165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.432 -0.206 -0.187 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.738 -0.734 -1.278 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.019 -0.336 -0.180 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.483 -0.188 0.712 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -1.212 -0.990 -2.363 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.264 -0.857 -1.052 0.00 0.00 +0.164 C BRANCH 6 9 ATOM 7 C LIG 1 -4.576 1.128 -3.994 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -4.176 0.851 -2.571 0.00 0.00 +0.211 C ATOM 9 N LIG 1 -3.886 -0.473 -2.321 0.00 0.00 -0.304 N ATOM 10 H LIG 1 -3.575 -1.005 -3.126 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -4.103 1.736 -1.725 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 -3.709 -2.275 -0.577 0.00 0.00 -0.011 C ATOM 13 C LIG 1 -5.244 -2.291 -0.400 0.00 0.00 +0.013 C ATOM 14 C LIG 1 -3.080 -2.614 0.789 0.00 0.00 +0.013 C ATOM 15 C LIG 1 -3.323 -3.379 -1.579 0.00 0.00 +0.013 C ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 16 ATOM 16 C LIG 1 0.949 -0.769 1.153 0.00 0.00 +0.234 C ATOM 17 N LIG 1 2.301 -1.053 1.174 0.00 0.00 -0.302 N ATOM 18 H LIG 1 2.868 -0.583 0.477 0.00 0.00 +0.150 HD ATOM 19 O LIG 1 0.217 -0.927 2.130 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 2.978 -1.305 2.447 0.00 0.00 +0.161 C BRANCH 20 21 ATOM 21 C LIG 1 3.460 0.067 2.966 0.00 0.00 +0.231 C ATOM 22 O LIG 1 3.765 0.998 2.222 0.00 0.00 -0.274 OA ATOM 23 N LIG 1 3.584 0.191 4.320 0.00 0.00 -0.328 N ATOM 24 H LIG 1 3.793 1.123 4.654 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 3.032 -0.395 4.935 0.00 0.00 +0.145 HD ENDBRANCH 20 21 BRANCH 20 26 ATOM 26 C LIG 1 4.118 -2.333 2.275 0.00 0.00 +0.012 C ATOM 27 C LIG 1 5.294 -1.818 1.439 0.00 0.00 +0.009 C ATOM 28 C LIG 1 4.627 -2.852 3.623 0.00 0.00 +0.009 C ENDBRANCH 20 26 ENDBRANCH 17 20 ENDBRANCH 1 16 BRANCH 1 29 ATOM 29 C LIG 1 0.869 1.257 -0.339 0.00 0.00 +0.033 C BRANCH 29 30 ATOM 30 C LIG 1 0.445 1.879 -1.676 0.00 0.00 +0.023 C BRANCH 30 31 ATOM 31 C LIG 1 1.049 3.269 -1.881 0.00 0.00 +0.115 C BRANCH 31 32 ATOM 32 N LIG 1 0.527 4.196 -0.887 0.00 0.00 -0.356 N ATOM 33 H LIG 1 -0.482 4.304 -0.980 0.00 0.00 +0.162 HD BRANCH 32 34 ATOM 34 C LIG 1 1.062 5.420 -0.693 0.00 0.00 +0.188 C ATOM 35 N LIG 1 0.309 6.456 -0.628 0.00 0.00 -0.269 NA ATOM 36 H LIG 1 0.886 7.287 -0.490 0.00 0.00 +0.190 HD BRANCH 34 37 ATOM 37 N LIG 1 2.398 5.450 -0.540 0.00 0.00 -0.370 N ATOM 38 H LIG 1 2.754 6.288 -0.101 0.00 0.00 +0.159 HD ATOM 39 H LIG 1 2.741 4.622 -0.066 0.00 0.00 +0.159 HD ENDBRANCH 34 37 ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 14