REMARK Name = BDB025830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.375 1.185 0.596 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.862 -0.100 0.273 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.520 -0.314 0.159 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.444 0.716 0.407 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.920 1.962 0.776 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.744 2.985 1.051 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.452 2.195 0.876 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.517 3.461 -1.859 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.764 2.832 -1.218 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.436 3.666 -0.192 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -4.766 5.009 -0.655 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.662 3.706 1.062 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.352 2.301 1.626 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.760 1.392 0.628 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.459 1.401 -0.681 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.892 0.485 0.298 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.521 -0.662 0.739 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.849 -0.900 0.647 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.620 0.045 0.087 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.109 1.196 -0.377 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.774 1.388 -0.260 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.989 -0.191 -0.050 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.521 -1.176 0.904 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.009 -1.431 0.623 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.767 -0.211 0.630 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 9.271 0.677 -0.384 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.795 1.036 -0.151 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.816 -1.136 0.147 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.752 -0.828 0.406 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.611 -2.453 -0.180 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.552 -2.975 -0.510 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.871 -3.260 -0.202 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.770 -3.438 0.930 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.863 -4.208 0.780 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -5.172 -4.879 -0.511 0.00 0.00 +0.252 A ATOM 36 O LIG 1 -6.192 -5.555 -0.596 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.251 -4.676 -1.532 0.00 0.00 -0.318 N ATOM 38 C LIG 1 -4.458 -5.322 -2.820 0.00 0.00 +0.152 C ATOM 39 C LIG 1 -3.124 -3.887 -1.363 0.00 0.00 +0.102 A BRANCH 33 40 ATOM 40 C LIG 1 -3.451 -2.794 2.244 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.158 -2.993 2.603 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -3.636 -1.450 2.164 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 6