REMARK Name = BDB000346 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.276 -1.889 -0.074 0.00 0.00 -0.003 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.208 -3.132 -0.318 0.00 0.00 -0.014 C ATOM 3 C LIG 1 -0.883 -3.881 -1.615 0.00 0.00 +0.007 C ATOM 4 C LIG 1 -1.238 -4.133 0.846 0.00 0.00 +0.007 C ENDBRANCH 1 2 BRANCH 1 5 ATOM 5 C LIG 1 1.221 -2.298 -0.036 0.00 0.00 +0.025 C BRANCH 5 6 ATOM 6 C LIG 1 2.299 -1.228 0.257 0.00 0.00 +0.080 C BRANCH 6 7 ATOM 7 N LIG 1 2.322 -0.842 1.682 0.00 0.00 -0.325 NA ATOM 8 H LIG 1 3.263 -0.491 1.884 0.00 0.00 +0.119 HD ATOM 9 H LIG 1 2.236 -1.680 2.255 0.00 0.00 +0.119 HD ENDBRANCH 6 7 BRANCH 6 10 ATOM 10 C LIG 1 2.212 0.035 -0.633 0.00 0.00 +0.132 C BRANCH 10 11 ATOM 11 O LIG 1 3.075 1.048 -0.104 0.00 0.00 -0.390 OA ATOM 12 H LIG 1 2.746 1.165 0.813 0.00 0.00 +0.210 HD ENDBRANCH 10 11 BRANCH 10 13 ATOM 13 C LIG 1 2.548 -0.139 -2.120 0.00 0.00 +0.045 C BRANCH 13 14 ATOM 14 C LIG 1 3.781 -0.982 -2.501 0.00 0.00 +0.074 C ATOM 15 C LIG 1 4.154 -0.723 -3.968 0.00 0.00 +0.017 C BRANCH 14 18 ATOM 16 N LIG 1 5.404 0.472 -1.350 0.00 0.00 -0.315 N ATOM 17 H LIG 1 4.611 1.098 -1.219 0.00 0.00 +0.149 HD ATOM 18 C LIG 1 5.035 -0.820 -1.647 0.00 0.00 +0.216 C ATOM 19 O LIG 1 5.693 -1.803 -1.311 0.00 0.00 -0.276 OA BRANCH 16 20 ATOM 20 C LIG 1 6.503 0.695 -0.432 0.00 0.00 +0.104 C BRANCH 20 21 ATOM 21 C LIG 1 6.896 2.167 -0.383 0.00 0.00 +0.018 C BRANCH 21 23 ATOM 22 C LIG 1 7.803 2.146 1.996 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.089 2.439 0.529 0.00 0.00 -0.002 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 16 20 ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 6 10 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 1 24 ATOM 24 C LIG 1 -0.706 -1.059 1.171 0.00 0.00 +0.039 C BRANCH 24 25 ATOM 25 C LIG 1 -2.165 -0.656 1.219 0.00 0.00 -0.044 A ATOM 26 C LIG 1 -2.771 0.033 0.163 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -4.133 0.382 0.197 0.00 0.00 +0.125 A ATOM 28 C LIG 1 -4.927 0.058 1.324 0.00 0.00 -0.000 A ATOM 29 C LIG 1 -4.284 -0.600 2.391 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -2.933 -0.952 2.342 0.00 0.00 +0.004 A BRANCH 28 31 ATOM 31 C LIG 1 -6.439 0.392 1.403 0.00 0.00 -0.009 C ATOM 32 C LIG 1 -7.104 -0.053 2.730 0.00 0.00 +0.015 C ATOM 33 C LIG 1 -7.209 -0.335 0.276 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -6.669 1.915 1.302 0.00 0.00 +0.015 C ENDBRANCH 28 31 BRANCH 27 35 ATOM 35 O LIG 1 -4.770 1.022 -0.837 0.00 0.00 -0.480 OA BRANCH 35 36 ATOM 36 C LIG 1 -4.012 1.555 -1.902 0.00 0.00 +0.349 C BRANCH 36 37 ATOM 37 C LIG 1 -3.199 2.793 -1.552 0.00 0.00 +0.345 C ATOM 38 O LIG 1 -1.984 2.882 -1.694 0.00 0.00 -0.247 OA BRANCH 37 39 ATOM 39 O LIG 1 -4.012 3.784 -1.091 0.00 0.00 -0.466 OA ATOM 40 C LIG 1 -3.326 4.984 -0.738 0.00 0.00 +0.280 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 27 35 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 19