REMARK Name = BDB022428 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.039 1.041 1.835 0.00 0.00 -0.035 A ATOM 2 C LIG 1 2.692 1.102 1.418 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.772 0.062 1.665 0.00 0.00 +0.001 A ATOM 4 C LIG 1 2.245 -1.058 2.369 0.00 0.00 +0.010 A ATOM 5 C LIG 1 3.562 -1.126 2.826 0.00 0.00 +0.001 A ATOM 6 C LIG 1 4.447 -0.080 2.571 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.368 0.123 1.201 0.00 0.00 +0.074 A ATOM 8 N LIG 1 -0.214 -1.071 0.931 0.00 0.00 -0.218 NA ATOM 9 C LIG 1 -1.492 -1.054 0.495 0.00 0.00 +0.235 A ATOM 10 F LIG 1 -2.054 -2.246 0.226 0.00 0.00 -0.182 F ATOM 11 C LIG 1 -2.264 0.094 0.303 0.00 0.00 +0.089 A ATOM 12 C LIG 1 -1.657 1.306 0.599 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.334 1.322 1.053 0.00 0.00 +0.030 A BRANCH 11 14 ATOM 14 N LIG 1 -3.592 -0.052 -0.159 0.00 0.00 -0.278 N ATOM 15 H LIG 1 -3.889 -1.010 -0.316 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -4.478 0.951 -0.468 0.00 0.00 +0.241 C ATOM 17 O LIG 1 -4.260 2.156 -0.462 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 -5.811 0.474 -0.924 0.00 0.00 +0.064 C ATOM 19 C LIG 1 -6.433 -0.623 -0.463 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 -7.804 -1.046 -0.904 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 -8.704 -1.226 0.242 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 -9.076 0.060 0.842 0.00 0.00 +0.104 C ATOM 23 C LIG 1 -9.913 -1.940 -0.175 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 6.499 1.893 1.565 0.00 0.00 +0.022 C ATOM 25 C LIG 1 4.996 2.196 1.556 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 4.656 3.068 0.348 0.00 0.00 +0.225 C ATOM 27 N LIG 1 4.688 2.658 -0.942 0.00 0.00 -0.268 N ATOM 28 H LIG 1 4.461 3.392 -1.601 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 4.343 4.253 0.543 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 4.865 1.459 -1.579 0.00 0.00 +0.147 A ATOM 31 N LIG 1 4.750 1.478 -2.913 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 4.921 0.202 -3.288 0.00 0.00 -0.280 N ATOM 33 H LIG 1 4.871 -0.029 -4.275 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 5.154 -0.631 -2.242 0.00 0.00 +0.041 A ATOM 35 C LIG 1 5.133 0.155 -1.116 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 5.403 -2.151 -2.317 0.00 0.00 +0.037 C ATOM 37 C LIG 1 4.293 -3.040 -2.812 0.00 0.00 +0.010 C ATOM 38 C LIG 1 4.682 -3.066 -1.363 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9