REMARK Name = BDB005495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.723 0.903 0.046 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.840 -0.170 -0.161 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.393 0.393 -0.269 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.803 0.016 -0.531 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.419 1.390 -0.604 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.481 2.417 -0.304 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.651 3.624 -0.238 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.226 1.733 -0.127 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.062 2.057 0.119 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.763 1.610 -0.925 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.572 0.536 -1.647 0.00 0.00 +0.270 A ATOM 12 O LIG 1 -4.084 -0.506 -2.074 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.908 0.796 -1.852 0.00 0.00 -0.326 N ATOM 14 H LIG 1 -6.428 0.071 -2.331 0.00 0.00 +0.168 HD ATOM 15 C LIG 1 -6.521 1.974 -1.518 0.00 0.00 +0.106 A ATOM 16 C LIG 1 -5.819 2.952 -0.937 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.560 4.445 -0.513 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.419 2.754 -0.638 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.411 -0.814 0.592 0.00 0.00 -0.021 A ATOM 20 C LIG 1 -2.957 -2.079 0.313 0.00 0.00 +0.007 A ATOM 21 C LIG 1 -3.522 -2.857 1.327 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -3.548 -2.379 2.634 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.241 -3.337 3.882 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -3.016 -1.128 2.935 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.453 -0.349 1.920 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 29 ATOM 26 C LIG 1 5.851 0.707 0.583 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.379 0.250 -0.583 0.00 0.00 -0.159 NA ATOM 28 C LIG 1 4.044 0.332 -0.755 0.00 0.00 +0.231 A ATOM 29 C LIG 1 3.168 0.809 0.205 0.00 0.00 +0.097 A ATOM 30 C LIG 1 3.779 1.272 1.352 0.00 0.00 +0.133 A ATOM 31 N LIG 1 5.109 1.220 1.577 0.00 0.00 -0.202 NA BRANCH 26 33 ATOM 32 C LIG 1 7.695 1.182 1.933 0.00 0.00 +0.280 C ATOM 33 O LIG 1 7.217 0.603 0.727 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 3.505 -0.107 -1.953 0.00 0.00 -0.479 OA ATOM 35 C LIG 1 4.487 -0.419 -2.937 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.197 -1.586 -0.201 0.00 0.00 +0.083 C ATOM 37 C LIG 1 0.876 -2.297 1.112 0.00 0.00 +0.030 C ATOM 38 C LIG 1 0.615 -2.318 -1.409 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6