REMARK Name = BDB022640 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.041 -0.556 1.218 0.00 0.00 +0.142 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.328 -1.743 -0.141 0.00 0.00 +0.034 A ATOM 3 C LIG 1 2.255 -0.918 0.210 0.00 0.00 +0.031 A ATOM 4 C LIG 1 1.123 -1.444 0.861 0.00 0.00 +0.007 A ATOM 5 C LIG 1 1.081 -2.811 1.135 0.00 0.00 +0.128 A ATOM 6 F LIG 1 0.008 -3.341 1.738 0.00 0.00 -0.205 F ATOM 7 C LIG 1 2.136 -3.646 0.788 0.00 0.00 +0.040 A ATOM 8 C LIG 1 3.258 -3.112 0.152 0.00 0.00 +0.026 A BRANCH 2 10 ATOM 9 C LIG 1 4.819 0.001 -1.165 0.00 0.00 +0.238 C ATOM 10 N LIG 1 4.500 -1.287 -0.769 0.00 0.00 -0.284 N ATOM 11 H LIG 1 5.206 -1.996 -0.980 0.00 0.00 +0.155 HD ATOM 12 O LIG 1 4.065 0.969 -1.115 0.00 0.00 -0.273 OA BRANCH 9 15 ATOM 13 C LIG 1 7.597 -1.743 -0.884 0.00 0.00 +0.239 C ATOM 14 N LIG 1 7.302 -0.391 -0.876 0.00 0.00 -0.286 N ATOM 15 C LIG 1 6.242 0.106 -1.788 0.00 0.00 +0.162 C ATOM 16 C LIG 1 6.562 1.525 -2.273 0.00 0.00 +0.032 C ATOM 17 C LIG 1 6.770 2.526 -1.133 0.00 0.00 +0.004 C ATOM 18 C LIG 1 7.182 1.863 0.177 0.00 0.00 +0.019 C ATOM 19 C LIG 1 8.002 0.601 -0.055 0.00 0.00 +0.109 C ATOM 20 O LIG 1 6.859 -2.562 -1.434 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 9.044 -3.484 0.066 0.00 0.00 +0.013 C ATOM 22 C LIG 1 8.833 -2.186 -0.185 0.00 0.00 +0.060 C ENDBRANCH 13 22 ENDBRANCH 9 15 ENDBRANCH 2 10 ENDBRANCH 1 4 BRANCH 1 23 ATOM 23 N LIG 1 -0.967 -0.498 0.106 0.00 0.00 -0.309 N ATOM 24 H LIG 1 -0.932 -1.301 -0.513 0.00 0.00 +0.149 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.235 0.043 0.163 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -2.618 1.034 1.084 0.00 0.00 -0.183 N ATOM 27 C LIG 1 -3.895 1.526 1.081 0.00 0.00 +0.166 A ATOM 28 C LIG 1 -3.941 2.483 2.077 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -2.630 2.476 2.617 0.00 0.00 +0.141 A ATOM 30 N LIG 1 -4.804 1.058 0.191 0.00 0.00 -0.195 NA ATOM 31 C LIG 1 -4.406 0.142 -0.650 0.00 0.00 +0.220 A ATOM 32 N LIG 1 -1.823 1.586 2.031 0.00 0.00 -0.170 NA ATOM 33 N LIG 1 -3.133 -0.386 -0.684 0.00 0.00 -0.181 NA BRANCH 28 34 ATOM 34 C LIG 1 -5.112 3.336 2.461 0.00 0.00 +0.018 C ATOM 35 C LIG 1 -5.266 3.470 3.978 0.00 0.00 +0.012 C ATOM 36 C LIG 1 -5.026 4.718 1.810 0.00 0.00 +0.012 C ENDBRANCH 28 34 BRANCH 31 37 ATOM 37 N LIG 1 -5.255 -0.383 -1.582 0.00 0.00 -0.310 N ATOM 38 H LIG 1 -4.887 -1.245 -1.975 0.00 0.00 +0.149 HD BRANCH 37 39 ATOM 39 C LIG 1 -6.704 -0.346 -1.449 0.00 0.00 +0.077 C ATOM 40 C LIG 1 -7.191 -1.470 -0.526 0.00 0.00 +0.050 C ATOM 41 C LIG 1 -7.647 -2.702 -1.302 0.00 0.00 +0.161 C ATOM 42 O LIG 1 -6.865 -2.862 -2.479 0.00 0.00 -0.380 OA ATOM 43 C LIG 1 -7.123 -1.845 -3.449 0.00 0.00 +0.161 C ATOM 44 C LIG 1 -7.340 -0.465 -2.832 0.00 0.00 +0.050 C ENDBRANCH 37 39 ENDBRANCH 31 37 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 9