REMARK Name = BDB018121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.161 -1.249 1.302 0.00 0.00 +0.216 C ATOM 2 N LIG 1 1.199 -0.612 0.626 0.00 0.00 -0.301 N ATOM 3 C LIG 1 1.428 0.833 0.670 0.00 0.00 +0.108 C ATOM 4 C LIG 1 2.198 1.343 -0.547 0.00 0.00 +0.030 C ATOM 5 C LIG 1 3.459 0.528 -0.869 0.00 0.00 +0.063 C ATOM 6 C LIG 1 3.113 -0.962 -0.912 0.00 0.00 +0.030 C ATOM 7 C LIG 1 2.381 -1.423 0.344 0.00 0.00 +0.108 C ATOM 8 O LIG 1 0.144 -2.471 1.479 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.595 0.823 0.115 0.00 0.00 +0.166 C ATOM 10 O LIG 1 4.391 1.411 1.176 0.00 0.00 -0.292 OA BRANCH 9 11 ATOM 11 C LIG 1 5.994 0.389 -0.201 0.00 0.00 +0.018 A ATOM 12 C LIG 1 6.947 0.436 0.829 0.00 0.00 +0.026 A ATOM 13 C LIG 1 8.271 0.045 0.592 0.00 0.00 +0.059 A ATOM 14 C LIG 1 8.647 -0.392 -0.683 0.00 0.00 +0.015 A ATOM 15 C LIG 1 7.705 -0.434 -1.712 0.00 0.00 +0.001 A ATOM 16 C LIG 1 6.385 -0.044 -1.474 0.00 0.00 +0.011 A BRANCH 13 17 ATOM 17 C LIG 1 9.236 0.108 1.716 0.00 0.00 +0.337 C ATOM 18 O LIG 1 8.986 0.462 2.853 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 10.474 -0.278 1.361 0.00 0.00 -0.477 OA ATOM 20 H LIG 1 10.993 -0.185 2.189 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 13 17 ENDBRANCH 9 11 ENDBRANCH 5 9 BRANCH 1 21 ATOM 21 C LIG 1 -1.030 -0.436 1.785 0.00 0.00 +0.099 C BRANCH 21 22 ATOM 22 C LIG 1 -2.209 -0.512 0.798 0.00 0.00 +0.002 C ATOM 23 C LIG 1 -1.958 0.344 -0.449 0.00 0.00 +0.008 C BRANCH 22 24 ATOM 24 C LIG 1 -3.502 -0.075 1.510 0.00 0.00 +0.078 C BRANCH 24 32 ATOM 25 C LIG 1 -6.843 2.800 -1.032 0.00 0.00 +0.046 C ATOM 26 C LIG 1 -7.268 1.369 -1.214 0.00 0.00 -0.024 A ATOM 27 C LIG 1 -6.535 0.327 -0.620 0.00 0.00 +0.081 A ATOM 28 C LIG 1 -6.965 -0.992 -0.814 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -6.181 -2.067 -0.183 0.00 0.00 +0.259 A ATOM 30 N LIG 1 -5.091 -1.660 0.542 0.00 0.00 -0.310 N ATOM 31 H LIG 1 -4.551 -2.397 0.973 0.00 0.00 +0.170 HD ATOM 32 C LIG 1 -4.739 -0.347 0.685 0.00 0.00 +0.111 A ATOM 33 O LIG 1 -6.481 -3.250 -0.296 0.00 0.00 -0.267 OA ATOM 34 C LIG 1 -8.097 -1.291 -1.578 0.00 0.00 +0.015 A ATOM 35 C LIG 1 -8.818 -0.254 -2.163 0.00 0.00 +0.001 A ATOM 36 N LIG 1 -5.394 0.630 0.150 0.00 0.00 -0.233 NA ATOM 37 C LIG 1 -8.407 1.068 -1.982 0.00 0.00 +0.005 A ENDBRANCH 24 32 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8