REMARK Name = BDB012292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.485 -1.202 -0.914 0.00 0.00 -0.214 N ATOM 2 C LIG 1 -0.903 -1.329 -1.002 0.00 0.00 +0.076 A ATOM 3 C LIG 1 -1.136 -2.352 -1.903 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.129 -2.781 -2.315 0.00 0.00 +0.135 A ATOM 5 N LIG 1 1.113 -2.104 -1.729 0.00 0.00 -0.173 NA ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 -1.888 -0.526 -0.288 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -2.279 0.722 -0.790 0.00 0.00 +0.057 A ATOM 8 C LIG 1 -3.230 1.474 -0.106 0.00 0.00 +0.136 A ATOM 9 C LIG 1 -3.801 0.992 1.074 0.00 0.00 +0.082 A ATOM 10 CL LIG 1 -4.976 1.926 1.921 0.00 0.00 -0.080 Cl ATOM 11 C LIG 1 -3.425 -0.254 1.573 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -2.471 -1.014 0.890 0.00 0.00 +0.011 A BRANCH 8 13 ATOM 13 O LIG 1 -3.575 2.687 -0.636 0.00 0.00 -0.505 OA ATOM 14 H LIG 1 -4.245 3.079 -0.045 0.00 0.00 +0.292 HD ENDBRANCH 8 13 ENDBRANCH 2 6 BRANCH 1 17 ATOM 15 C LIG 1 3.377 0.546 0.599 0.00 0.00 +0.064 A ATOM 16 C LIG 1 2.642 -0.324 -0.207 0.00 0.00 +0.063 A ATOM 17 C LIG 1 1.256 -0.303 -0.101 0.00 0.00 +0.155 A ATOM 18 N LIG 1 0.615 0.538 0.755 0.00 0.00 -0.236 NA ATOM 19 C LIG 1 1.354 1.388 1.498 0.00 0.00 +0.114 A ATOM 20 C LIG 1 2.732 1.432 1.459 0.00 0.00 +0.035 A BRANCH 15 22 ATOM 21 O LIG 1 5.437 0.506 -0.577 0.00 0.00 -0.245 OA ATOM 22 C LIG 1 4.849 0.539 0.488 0.00 0.00 +0.337 C BRANCH 22 23 ATOM 23 O LIG 1 5.462 0.543 1.690 0.00 0.00 -0.477 OA ATOM 24 H LIG 1 4.874 0.390 2.453 0.00 0.00 +0.295 HD ENDBRANCH 22 23 ENDBRANCH 15 22 ENDBRANCH 1 17 TORSDOF 5