REMARK Name = BDB005301 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.585 0.860 -0.496 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.487 0.077 -0.868 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.605 0.822 -0.551 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.075 0.719 -0.576 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.426 2.086 -0.068 0.00 0.00 -0.252 N ATOM 6 C LIG 1 -1.273 2.863 0.252 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.194 4.002 0.681 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.158 2.010 -0.077 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.193 2.058 -0.064 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.773 2.558 -0.005 0.00 0.00 +0.057 A ATOM 11 C LIG 1 -4.111 3.784 0.582 0.00 0.00 +0.046 A ATOM 12 C LIG 1 -5.441 4.208 0.618 0.00 0.00 +0.061 A ATOM 13 CL LIG 1 -5.862 5.707 1.343 0.00 0.00 -0.082 Cl ATOM 14 C LIG 1 -6.414 3.397 0.063 0.00 0.00 +0.130 A ATOM 15 N LIG 1 -6.145 2.207 -0.517 0.00 0.00 -0.260 NA ATOM 16 C LIG 1 -4.842 1.823 -0.531 0.00 0.00 +0.134 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.583 -0.416 0.298 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -3.170 -1.546 -0.296 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -3.622 -2.611 0.487 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -3.487 -2.559 1.873 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -4.038 -3.874 2.834 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -2.905 -1.452 2.481 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.453 -0.386 1.699 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 27 ATOM 24 C LIG 1 5.605 -0.174 -0.800 0.00 0.00 +0.321 A ATOM 25 N LIG 1 4.919 -0.723 0.214 0.00 0.00 -0.159 NA ATOM 26 C LIG 1 3.621 -0.365 0.309 0.00 0.00 +0.231 A ATOM 27 C LIG 1 2.983 0.475 -0.586 0.00 0.00 +0.097 A ATOM 28 C LIG 1 3.803 0.998 -1.563 0.00 0.00 +0.133 A ATOM 29 N LIG 1 5.104 0.675 -1.708 0.00 0.00 -0.202 NA BRANCH 24 31 ATOM 30 C LIG 1 7.463 -1.296 0.059 0.00 0.00 +0.280 C ATOM 31 O LIG 1 6.932 -0.492 -0.984 0.00 0.00 -0.466 OA ENDBRANCH 24 31 BRANCH 26 32 ATOM 32 O LIG 1 2.866 -0.881 1.349 0.00 0.00 -0.479 OA ATOM 33 C LIG 1 3.636 -1.586 2.317 0.00 0.00 +0.279 C ENDBRANCH 26 32 ENDBRANCH 1 27 BRANCH 2 34 ATOM 34 C LIG 1 0.442 -1.226 -1.522 0.00 0.00 +0.083 C ATOM 35 C LIG 1 1.298 -1.319 -2.786 0.00 0.00 +0.030 C ATOM 36 C LIG 1 0.711 -2.388 -0.569 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 6