REMARK Name = BDB000142 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.322 -1.368 1.022 0.00 0.00 +0.250 C ATOM 2 N LIG 1 4.347 -0.374 0.776 0.00 0.00 -0.289 N ATOM 3 C LIG 1 2.941 -0.660 0.739 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.329 0.623 0.350 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.236 1.598 0.244 0.00 0.00 +0.087 A ATOM 6 N LIG 1 2.597 2.709 -0.110 0.00 0.00 -0.175 NA ATOM 7 N LIG 1 1.299 2.462 -0.230 0.00 0.00 -0.263 N ATOM 8 H LIG 1 0.592 3.216 -0.508 0.00 0.00 +0.190 HD ATOM 9 C LIG 1 1.033 1.181 0.038 0.00 0.00 +0.126 A ATOM 10 C LIG 1 4.585 1.006 0.564 0.00 0.00 +0.165 C ATOM 11 O LIG 1 4.882 -2.579 1.115 0.00 0.00 -0.272 OA ENDROOT BRANCH 9 12 ATOM 12 N LIG 1 -0.088 0.360 0.091 0.00 0.00 -0.266 N ATOM 13 H LIG 1 -0.910 1.421 -0.252 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -1.150 -0.418 0.140 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.948 -1.686 0.453 0.00 0.00 -0.270 OA BRANCH 14 16 ATOM 16 C LIG 1 -2.565 -0.167 -0.089 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -3.199 0.961 0.384 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.538 1.193 0.181 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -5.326 0.294 -0.516 0.00 0.00 +0.030 A ATOM 20 C LIG 1 -4.704 -0.836 -0.995 0.00 0.00 +0.024 A ATOM 21 C LIG 1 -3.362 -1.067 -0.791 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 N LIG 1 -6.696 0.493 -0.743 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -7.402 -0.243 -1.755 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -8.904 0.021 -1.636 0.00 0.00 +0.103 C ATOM 25 N LIG 1 -9.338 -0.103 -0.263 0.00 0.00 -0.302 NA ATOM 26 C LIG 1 -9.290 -1.477 0.201 0.00 0.00 +0.105 C ATOM 27 C LIG 1 -8.674 0.790 0.632 0.00 0.00 +0.103 C ATOM 28 C LIG 1 -7.443 1.455 0.028 0.00 0.00 +0.120 C ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 12 BRANCH 1 29 ATOM 29 C LIG 1 6.760 -1.222 1.189 0.00 0.00 +0.233 C BRANCH 29 30 ATOM 30 C LIG 1 7.469 -0.382 0.215 0.00 0.00 -0.010 A ATOM 31 C LIG 1 7.599 -0.693 -1.141 0.00 0.00 +0.006 A ATOM 32 C LIG 1 8.257 0.135 -2.018 0.00 0.00 +0.000 A ATOM 33 C LIG 1 8.821 1.317 -1.593 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.717 1.658 -0.273 0.00 0.00 +0.000 A ATOM 35 C LIG 1 8.065 0.833 0.585 0.00 0.00 +0.006 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 36 C LIG 1 8.023 -2.742 2.425 0.00 0.00 +0.195 C ATOM 37 O LIG 1 7.401 -2.469 1.237 0.00 0.00 -0.366 OA ENDBRANCH 29 37 ENDBRANCH 1 29 TORSDOF 6