REMARK Name = BDB002373 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.666 0.629 -0.045 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -3.103 -1.002 -1.243 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.984 -0.210 -1.192 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.377 -0.119 -2.003 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -3.919 -1.063 -0.323 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -3.285 -1.789 -2.559 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -3.307 -4.139 -1.804 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -4.004 -3.006 -2.183 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -4.886 -2.851 -1.710 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -2.088 -4.245 -1.917 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.197 -5.242 -1.185 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -4.167 -5.072 0.333 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -4.452 -7.678 -1.120 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -3.714 -6.550 -1.661 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -2.717 -6.632 -1.437 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -4.080 -0.977 -3.607 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -3.344 0.296 -4.049 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -4.379 -1.828 -4.849 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -0.744 1.771 -0.520 0.00 0.00 +0.234 C ATOM 20 N LIG 1 -0.450 2.718 0.429 0.00 0.00 -0.307 N ATOM 21 H LIG 1 -0.883 2.675 1.345 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -0.295 1.806 -1.666 0.00 0.00 -0.274 OA BRANCH 20 23 ATOM 23 C LIG 1 0.481 3.811 0.182 0.00 0.00 +0.103 C ATOM 24 C LIG 1 1.021 4.295 1.514 0.00 0.00 -0.024 A ATOM 25 C LIG 1 0.568 5.491 2.104 0.00 0.00 -0.042 A ATOM 26 C LIG 1 1.069 5.871 3.358 0.00 0.00 +0.004 A ATOM 27 C LIG 1 1.989 5.069 4.033 0.00 0.00 +0.000 A ATOM 28 C LIG 1 2.429 3.881 3.459 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -0.389 6.414 1.391 0.00 0.00 +0.035 C ATOM 30 C LIG 1 -1.142 5.745 0.244 0.00 0.00 +0.007 C ATOM 31 C LIG 1 1.949 3.497 2.207 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.184 4.936 -0.625 0.00 0.00 +0.027 C ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 -1.085 -0.182 1.127 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 C LIG 1 0.074 -1.141 0.806 0.00 0.00 +0.021 C BRANCH 34 35 ATOM 35 C LIG 1 1.300 -0.464 0.203 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 N LIG 1 2.485 -1.277 0.318 0.00 0.00 -0.281 N ATOM 37 H LIG 1 2.794 -1.849 -0.456 0.00 0.00 +0.152 HD ATOM 38 C LIG 1 3.322 -1.198 1.390 0.00 0.00 +0.401 C ATOM 39 O LIG 1 3.112 -0.536 2.399 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 4.420 -1.950 1.148 0.00 0.00 -0.446 OA BRANCH 40 41 ATOM 41 C LIG 1 5.433 -1.893 2.158 0.00 0.00 +0.269 C BRANCH 41 42 ATOM 42 C LIG 1 6.395 -0.771 1.860 0.00 0.00 -0.010 A ATOM 43 C LIG 1 6.332 0.428 2.581 0.00 0.00 +0.007 A ATOM 44 C LIG 1 7.209 1.476 2.295 0.00 0.00 +0.000 A ATOM 45 C LIG 1 8.148 1.341 1.274 0.00 0.00 +0.000 A ATOM 46 C LIG 1 8.211 0.156 0.539 0.00 0.00 +0.000 A ATOM 47 C LIG 1 7.339 -0.894 0.830 0.00 0.00 +0.007 A ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 15