REMARK Name = BDB022446 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.417 -0.020 -1.969 0.00 0.00 -0.035 A ATOM 2 C LIG 1 1.412 -0.563 -1.148 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.584 0.254 -0.355 0.00 0.00 -0.013 A ATOM 4 C LIG 1 0.786 1.642 -0.412 0.00 0.00 +0.008 A ATOM 5 C LIG 1 1.773 2.196 -1.227 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.585 1.371 -2.000 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.449 -0.328 0.519 0.00 0.00 +0.037 A ATOM 8 C LIG 1 -1.759 0.152 0.568 0.00 0.00 +0.223 A ATOM 9 F LIG 1 -2.113 1.169 -0.237 0.00 0.00 -0.183 F ATOM 10 N LIG 1 -2.737 -0.334 1.368 0.00 0.00 -0.204 NA ATOM 11 C LIG 1 -2.439 -1.362 2.175 0.00 0.00 +0.128 A ATOM 12 C LIG 1 -1.167 -1.923 2.201 0.00 0.00 +0.044 A ATOM 13 C LIG 1 -0.168 -1.402 1.372 0.00 0.00 +0.016 A BRANCH 11 14 ATOM 14 N LIG 1 -3.385 -1.907 3.044 0.00 0.00 -0.267 N ATOM 15 H LIG 1 -3.075 -2.649 3.656 0.00 0.00 +0.157 HD ATOM 16 C LIG 1 -4.670 -1.554 3.318 0.00 0.00 +0.242 C ATOM 17 O LIG 1 -5.247 -2.130 4.244 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -5.365 -0.510 2.530 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -6.376 0.184 3.081 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -7.194 1.248 2.404 0.00 0.00 +0.112 C BRANCH 20 21 ATOM 21 N LIG 1 -7.223 1.159 0.941 0.00 0.00 -0.294 NA ATOM 22 C LIG 1 -7.654 2.447 0.354 0.00 0.00 +0.113 C ATOM 23 C LIG 1 -8.300 2.268 -1.026 0.00 0.00 +0.175 C ATOM 24 O LIG 1 -9.517 1.506 -0.961 0.00 0.00 -0.377 OA ATOM 25 C LIG 1 -9.497 0.505 0.064 0.00 0.00 +0.175 C ATOM 26 C LIG 1 -8.085 0.055 0.464 0.00 0.00 +0.113 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 3.079 -0.732 -4.290 0.00 0.00 +0.022 C ATOM 28 C LIG 1 3.315 -0.936 -2.790 0.00 0.00 +0.102 C BRANCH 28 29 ATOM 29 C LIG 1 4.800 -0.770 -2.423 0.00 0.00 +0.225 C ATOM 30 N LIG 1 5.042 -1.005 -1.087 0.00 0.00 -0.268 N ATOM 31 H LIG 1 4.278 -1.178 -0.448 0.00 0.00 +0.156 HD ATOM 32 O LIG 1 5.654 -0.489 -3.261 0.00 0.00 -0.275 OA BRANCH 30 33 ATOM 33 C LIG 1 6.258 -0.916 -0.459 0.00 0.00 +0.147 A ATOM 34 N LIG 1 6.304 -1.112 0.863 0.00 0.00 -0.158 NA ATOM 35 N LIG 1 7.599 -0.933 1.173 0.00 0.00 -0.280 N ATOM 36 H LIG 1 7.882 -1.017 2.145 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 8.380 -0.650 0.090 0.00 0.00 +0.041 A ATOM 38 C LIG 1 7.536 -0.638 -0.993 0.00 0.00 +0.068 A BRANCH 37 39 ATOM 39 C LIG 1 9.908 -0.400 0.129 0.00 0.00 +0.037 C ATOM 40 C LIG 1 10.386 1.024 0.015 0.00 0.00 +0.010 C ATOM 41 C LIG 1 10.659 0.048 -1.097 0.00 0.00 +0.010 C ENDBRANCH 37 39 ENDBRANCH 30 33 ENDBRANCH 28 29 ENDBRANCH 1 28 TORSDOF 9