REMARK Name = BDB003539 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.648 -0.740 -0.070 0.00 0.00 +0.222 A ATOM 2 N LIG 1 -1.758 -1.430 -0.372 0.00 0.00 -0.214 NA ATOM 3 C LIG 1 -2.946 -0.854 -0.155 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -3.070 0.425 0.382 0.00 0.00 +0.044 A ATOM 5 C LIG 1 -4.352 0.997 0.573 0.00 0.00 +0.062 A ATOM 6 C LIG 1 -5.505 0.286 0.239 0.00 0.00 +0.162 A ATOM 7 C LIG 1 -5.378 -1.010 -0.286 0.00 0.00 +0.164 A ATOM 8 C LIG 1 -1.858 1.047 0.690 0.00 0.00 +0.129 A ATOM 9 C LIG 1 -4.102 -1.554 -0.477 0.00 0.00 +0.078 A ATOM 10 N LIG 1 -0.666 0.488 0.460 0.00 0.00 -0.199 NA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -1.810 2.327 1.258 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.827 2.542 1.412 0.00 0.00 +0.144 HD ATOM 13 H LIG 1 -2.330 2.360 2.127 0.00 0.00 +0.144 HD ENDBRANCH 8 11 BRANCH 1 14 ATOM 14 N LIG 1 0.542 -1.413 -0.332 0.00 0.00 -0.284 N ATOM 15 H LIG 1 0.323 -2.317 -0.724 0.00 0.00 +0.155 HD BRANCH 14 19 ATOM 16 C LIG 1 4.671 -0.497 -0.113 0.00 0.00 +0.059 A ATOM 17 C LIG 1 4.226 -1.775 -0.464 0.00 0.00 +0.017 A ATOM 18 C LIG 1 2.856 -2.050 -0.535 0.00 0.00 +0.024 A ATOM 19 C LIG 1 1.894 -1.062 -0.266 0.00 0.00 +0.034 A ATOM 20 C LIG 1 2.355 0.208 0.092 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.726 0.495 0.165 0.00 0.00 +0.017 A BRANCH 16 22 ATOM 22 C LIG 1 6.137 -0.252 -0.051 0.00 0.00 +0.339 C ATOM 23 O LIG 1 6.973 -1.108 -0.294 0.00 0.00 -0.245 OA BRANCH 22 24 ATOM 24 O LIG 1 6.391 1.033 0.302 0.00 0.00 -0.461 OA BRANCH 24 26 ATOM 25 C LIG 1 8.299 1.826 -0.961 0.00 0.00 +0.048 C ATOM 26 C LIG 1 7.778 1.391 0.397 0.00 0.00 +0.229 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 16 22 ENDBRANCH 14 19 ENDBRANCH 1 14 BRANCH 7 27 ATOM 27 O LIG 1 -6.551 -1.657 -0.585 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -6.465 -2.967 -1.129 0.00 0.00 +0.277 C ENDBRANCH 7 27 BRANCH 6 29 ATOM 29 O LIG 1 -6.783 0.758 0.393 0.00 0.00 -0.491 OA ATOM 30 C LIG 1 -6.944 2.108 0.805 0.00 0.00 +0.277 C ENDBRANCH 6 29 TORSDOF 8