REMARK Name = BDB021199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.999 -0.244 0.308 0.00 0.00 +0.046 A ATOM 2 C LIG 1 0.146 -1.094 1.072 0.00 0.00 +0.151 A ATOM 3 N LIG 1 -1.206 -0.814 1.041 0.00 0.00 -0.270 N ATOM 4 C LIG 1 -1.827 -1.714 1.875 0.00 0.00 +0.134 A ATOM 5 C LIG 1 -0.819 -2.522 2.345 0.00 0.00 +0.159 A ATOM 6 C LIG 1 -1.744 0.246 0.292 0.00 0.00 +0.202 A ATOM 7 N LIG 1 -0.956 1.044 -0.373 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 0.401 -2.137 1.842 0.00 0.00 -0.217 NA ATOM 9 C LIG 1 0.398 0.774 -0.348 0.00 0.00 +0.126 A ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 5.289 -0.685 0.134 0.00 0.00 +0.005 A ATOM 11 C LIG 1 4.604 -0.705 1.351 0.00 0.00 +0.129 A ATOM 12 F LIG 1 5.281 -0.865 2.497 0.00 0.00 -0.205 F ATOM 13 C LIG 1 3.218 -0.560 1.411 0.00 0.00 +0.050 A ATOM 14 C LIG 1 2.472 -0.387 0.236 0.00 0.00 +0.025 A ATOM 15 C LIG 1 3.159 -0.387 -0.986 0.00 0.00 +0.132 A ATOM 16 F LIG 1 2.488 -0.254 -2.140 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.545 -0.534 -1.044 0.00 0.00 +0.046 A BRANCH 10 18 ATOM 18 C LIG 1 6.788 -0.868 0.089 0.00 0.00 +0.122 C BRANCH 18 20 ATOM 19 C LIG 1 7.464 1.462 -0.004 0.00 0.00 +0.104 C ATOM 20 N LIG 1 7.476 0.171 -0.701 0.00 0.00 -0.304 NA ATOM 21 C LIG 1 8.859 -0.234 -0.960 0.00 0.00 +0.104 C ENDBRANCH 18 20 ENDBRANCH 10 18 ENDBRANCH 1 14 BRANCH 5 22 ATOM 22 C LIG 1 -0.944 -3.626 3.247 0.00 0.00 +0.121 C ATOM 23 N LIG 1 -1.077 -4.518 3.979 0.00 0.00 -0.189 NA ENDBRANCH 5 22 BRANCH 6 24 ATOM 24 N LIG 1 -3.102 0.471 0.279 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -3.253 1.411 -0.081 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.958 -0.444 -0.471 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.394 -0.080 -0.248 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.042 0.914 -0.976 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.532 1.817 -2.037 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.859 2.388 -2.538 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.850 2.261 -1.493 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.363 1.250 -0.705 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.095 0.631 0.288 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.468 -0.371 1.027 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.136 -0.715 0.757 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.563 -1.677 1.495 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 7