REMARK Name = BDB063426 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.981 1.214 -0.416 0.00 0.00 +0.069 A ATOM 2 C LIG 1 -2.802 1.949 -1.286 0.00 0.00 +0.145 A ATOM 3 F LIG 1 -2.242 2.858 -2.101 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -4.187 1.777 -1.344 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -4.810 0.844 -0.513 0.00 0.00 +0.020 A ATOM 6 C LIG 1 -4.002 0.099 0.359 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.611 0.282 0.407 0.00 0.00 +0.027 A ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -6.259 0.615 -0.523 0.00 0.00 +0.139 A ATOM 9 N LIG 1 -7.173 1.414 -1.174 0.00 0.00 -0.338 N ATOM 10 H LIG 1 -6.956 2.243 -1.706 0.00 0.00 +0.167 HD ATOM 11 C LIG 1 -8.433 0.914 -0.970 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -8.237 -0.208 -0.172 0.00 0.00 +0.102 A ATOM 13 C LIG 1 -9.356 -0.966 0.228 0.00 0.00 +0.064 A ATOM 14 C LIG 1 -10.632 -0.553 -0.200 0.00 0.00 +0.015 A ATOM 15 C LIG 1 -10.791 0.581 -1.001 0.00 0.00 +0.003 A ATOM 16 C LIG 1 -9.690 1.342 -1.405 0.00 0.00 +0.028 A ATOM 17 N LIG 1 -6.889 -0.370 0.094 0.00 0.00 -0.227 NA BRANCH 13 18 ATOM 18 C LIG 1 -9.230 -2.175 1.075 0.00 0.00 +0.244 C ATOM 19 O LIG 1 -10.212 -2.822 1.419 0.00 0.00 -0.270 OA ATOM 20 N LIG 1 -7.974 -2.544 1.460 0.00 0.00 -0.325 N ATOM 21 H LIG 1 -7.857 -3.368 2.032 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -7.157 -2.012 1.170 0.00 0.00 +0.145 HD ENDBRANCH 13 18 ENDBRANCH 5 8 BRANCH 1 23 ATOM 23 N LIG 1 -0.604 1.458 -0.426 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -0.283 2.156 -1.085 0.00 0.00 +0.155 HD BRANCH 23 27 ATOM 25 C LIG 1 2.781 1.012 0.560 0.00 0.00 +0.130 A ATOM 26 N LIG 1 1.670 1.464 -0.061 0.00 0.00 -0.199 NA ATOM 27 C LIG 1 0.479 0.941 0.275 0.00 0.00 +0.221 A ATOM 28 N LIG 1 0.326 -0.003 1.210 0.00 0.00 -0.223 NA ATOM 29 C LIG 1 1.435 -0.427 1.833 0.00 0.00 +0.118 A ATOM 30 C LIG 1 2.689 0.051 1.550 0.00 0.00 +0.064 A BRANCH 25 31 ATOM 31 N LIG 1 4.056 1.560 0.242 0.00 0.00 -0.288 N ATOM 32 C LIG 1 3.997 2.567 -0.827 0.00 0.00 +0.137 C BRANCH 31 40 ATOM 33 C LIG 1 10.214 -1.178 0.318 0.00 0.00 +0.066 C ATOM 34 C LIG 1 8.772 -1.298 -0.006 0.00 0.00 +0.044 A ATOM 35 N LIG 1 8.219 -2.427 -0.564 0.00 0.00 -0.270 N ATOM 36 C LIG 1 8.912 -3.644 -0.921 0.00 0.00 +0.172 C ATOM 37 N LIG 1 6.893 -2.345 -0.795 0.00 0.00 -0.171 NA ATOM 38 C LIG 1 6.541 -1.123 -0.367 0.00 0.00 +0.095 A ATOM 39 C LIG 1 5.280 -0.504 -0.362 0.00 0.00 +0.053 A ATOM 40 C LIG 1 5.273 0.810 0.173 0.00 0.00 +0.037 A ATOM 41 C LIG 1 6.474 1.441 0.661 0.00 0.00 +0.024 A ATOM 42 C LIG 1 7.753 0.843 0.666 0.00 0.00 +0.013 A ATOM 43 C LIG 1 7.707 -0.442 0.136 0.00 0.00 +0.023 A ENDBRANCH 31 40 ENDBRANCH 25 31 ENDBRANCH 23 27 ENDBRANCH 1 23 TORSDOF 6