REMARK Name = BDB018699 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -3.379 1.459 -0.037 0.00 0.00 -0.267 N ATOM 2 C LIG 1 -2.397 0.920 -1.037 0.00 0.00 +0.151 C ATOM 3 C LIG 1 -1.275 0.231 -0.230 0.00 0.00 +0.128 C ATOM 4 C LIG 1 -1.417 -1.317 -0.303 0.00 0.00 +0.242 C ATOM 5 O LIG 1 -2.492 -1.899 -0.441 0.00 0.00 -0.273 OA ATOM 6 N LIG 1 -0.272 -2.047 -0.076 0.00 0.00 -0.281 N ATOM 7 H LIG 1 -0.373 -3.052 -0.023 0.00 0.00 +0.155 HD ATOM 8 C LIG 1 0.990 -1.444 0.008 0.00 0.00 +0.074 A ATOM 9 C LIG 1 1.133 -0.074 -0.249 0.00 0.00 +0.142 A ATOM 10 N LIG 1 2.311 0.562 -0.151 0.00 0.00 -0.226 NA ATOM 11 C LIG 1 3.411 -0.169 0.200 0.00 0.00 +0.146 A ATOM 12 C LIG 1 3.339 -1.545 0.443 0.00 0.00 +0.034 A ATOM 13 C LIG 1 2.109 -2.191 0.346 0.00 0.00 +0.029 A ATOM 14 N LIG 1 0.051 0.677 -0.696 0.00 0.00 -0.313 N ATOM 15 H LIG 1 0.270 1.667 -0.639 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 -1.515 0.706 1.209 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -3.021 0.894 1.283 0.00 0.00 +0.119 C ENDROOT BRANCH 11 18 ATOM 18 C LIG 1 4.766 0.522 0.296 0.00 0.00 +0.434 C ATOM 19 F LIG 1 5.465 0.140 1.406 0.00 0.00 -0.164 F ATOM 20 F LIG 1 5.576 0.230 -0.762 0.00 0.00 -0.164 F ATOM 21 F LIG 1 4.699 1.882 0.355 0.00 0.00 -0.164 F ENDBRANCH 11 18 BRANCH 1 23 ATOM 22 N LIG 1 -5.692 2.177 -0.646 0.00 0.00 -0.174 NA ATOM 23 C LIG 1 -4.620 1.844 -0.365 0.00 0.00 +0.169 C ENDBRANCH 1 23 TORSDOF 2