REMARK Name = BDB010148 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.335 -0.593 1.544 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.183 -1.331 1.289 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.227 -2.714 1.318 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.994 -3.261 1.060 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.812 -2.252 0.887 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.330 -3.429 1.580 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 2.391 -2.657 1.842 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.142 -1.049 1.022 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.440 -1.303 1.842 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -3.154 -2.312 0.681 0.00 0.00 -0.293 N ATOM 11 C LIG 1 -3.689 -2.010 -0.677 0.00 0.00 +0.104 C ATOM 12 C LIG 1 -3.289 -3.120 -1.671 0.00 0.00 +0.182 C ATOM 13 O LIG 1 -4.101 -4.260 -1.271 0.00 0.00 -0.373 OA ATOM 14 C LIG 1 -4.837 -3.779 -0.113 0.00 0.00 +0.137 C ATOM 15 C LIG 1 -5.165 -2.349 -0.498 0.00 0.00 +0.058 C ATOM 16 C LIG 1 -3.844 -3.584 1.062 0.00 0.00 +0.140 C ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 1.375 0.794 1.514 0.00 0.00 -0.324 N ATOM 18 H LIG 1 0.788 1.184 0.788 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 2.435 2.887 2.069 0.00 0.00 +0.028 C ATOM 20 C LIG 1 2.685 1.454 1.595 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.415 1.393 0.246 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.695 2.244 0.003 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.276 2.312 -1.481 0.00 0.00 +0.001 C ATOM 24 C LIG 1 2.823 2.097 -1.009 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 25 ATOM 25 C LIG 1 3.671 -3.387 2.159 0.00 0.00 +0.375 C ATOM 26 O LIG 1 3.831 -4.594 2.229 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 4.722 -2.561 2.377 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 5.460 -3.175 2.570 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 -1.767 0.265 1.069 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C LIG 1 -1.471 1.143 -0.132 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -1.087 0.640 -1.384 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.817 1.504 -2.450 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.938 2.891 -2.294 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -1.337 3.397 -1.050 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.607 2.533 0.014 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -0.608 3.831 -3.428 0.00 0.00 +0.417 C ATOM 37 F LIG 1 -1.455 4.896 -3.495 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -0.655 3.238 -4.653 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.644 4.354 -3.312 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9