REMARK Name = BDB056422 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.646 -0.483 -0.895 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -2.465 -1.176 -0.884 0.00 0.00 -0.335 N ATOM 3 H LIG 1 -1.638 -0.904 -0.375 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 -2.596 -2.279 -1.687 0.00 0.00 +0.108 A ATOM 5 C LIG 1 -3.919 -2.213 -2.109 0.00 0.00 +0.180 A ATOM 6 N LIG 1 -4.493 -3.140 -2.905 0.00 0.00 -0.233 NA ATOM 7 C LIG 1 -3.671 -4.153 -3.256 0.00 0.00 +0.135 A ATOM 8 C LIG 1 -2.338 -4.289 -2.873 0.00 0.00 +0.082 A ATOM 9 CL LIG 1 -1.453 -5.672 -3.414 0.00 0.00 -0.080 Cl ATOM 10 C LIG 1 -1.730 -3.318 -2.053 0.00 0.00 +0.079 A ATOM 11 N LIG 1 -4.551 -1.105 -1.620 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -6.365 1.363 -0.720 0.00 0.00 +0.068 C ATOM 13 C LIG 1 -5.050 1.635 -0.090 0.00 0.00 +0.071 A ATOM 14 C LIG 1 -3.873 0.854 -0.151 0.00 0.00 +0.058 A ATOM 15 C LIG 1 -2.940 1.537 0.592 0.00 0.00 +0.119 A ATOM 16 N LIG 1 -3.579 2.657 1.041 0.00 0.00 -0.274 N ATOM 17 C LIG 1 -3.019 3.708 1.856 0.00 0.00 +0.172 C ATOM 18 N LIG 1 -4.863 2.739 0.650 0.00 0.00 -0.176 NA ENDBRANCH 1 14 BRANCH 10 19 ATOM 19 N LIG 1 -0.372 -3.423 -1.679 0.00 0.00 -0.312 N ATOM 20 H LIG 1 -0.123 -4.373 -1.411 0.00 0.00 +0.152 HD BRANCH 19 21 ATOM 21 C LIG 1 0.505 -2.434 -1.206 0.00 0.00 +0.031 A ATOM 22 C LIG 1 1.291 -2.684 -0.074 0.00 0.00 +0.024 A ATOM 23 C LIG 1 2.106 -1.685 0.470 0.00 0.00 +0.015 A ATOM 24 C LIG 1 2.144 -0.419 -0.123 0.00 0.00 +0.037 A ATOM 25 C LIG 1 1.365 -0.157 -1.253 0.00 0.00 +0.015 A ATOM 26 C LIG 1 0.561 -1.163 -1.794 0.00 0.00 +0.024 A BRANCH 24 27 ATOM 27 C LIG 1 2.957 0.684 0.454 0.00 0.00 +0.248 C ATOM 28 N LIG 1 4.215 0.309 0.883 0.00 0.00 -0.282 N ATOM 29 H LIG 1 4.507 -0.638 0.678 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 2.460 1.803 0.480 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 5.186 1.123 1.503 0.00 0.00 +0.034 A ATOM 32 C LIG 1 6.426 0.536 1.788 0.00 0.00 +0.023 A ATOM 33 C LIG 1 7.439 1.274 2.406 0.00 0.00 +0.002 A ATOM 34 C LIG 1 7.221 2.606 2.747 0.00 0.00 +0.000 A ATOM 35 C LIG 1 5.991 3.197 2.469 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.977 2.459 1.851 0.00 0.00 +0.023 A ENDBRANCH 28 31 ENDBRANCH 24 27 ENDBRANCH 19 21 ENDBRANCH 10 19 TORSDOF 5