REMARK Name = BDB003019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.239 -0.330 -1.530 0.00 0.00 +0.275 A ATOM 2 N LIG 1 0.761 -1.432 -0.998 0.00 0.00 -0.172 NA ATOM 3 C LIG 1 1.975 -1.274 -0.482 0.00 0.00 +0.258 A ATOM 4 N LIG 1 2.643 -0.117 -0.498 0.00 0.00 -0.177 NA ATOM 5 C LIG 1 2.045 0.920 -1.062 0.00 0.00 +0.226 A ATOM 6 N LIG 1 0.836 0.856 -1.599 0.00 0.00 -0.176 NA ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 2.619 -2.413 0.132 0.00 0.00 -0.202 N ATOM 8 C LIG 1 2.135 -3.711 0.280 0.00 0.00 +0.045 A ATOM 9 C LIG 1 0.804 -4.177 -0.187 0.00 0.00 +0.066 C ATOM 10 C LIG 1 3.124 -4.423 0.927 0.00 0.00 +0.048 A ATOM 11 C LIG 1 4.169 -3.507 1.141 0.00 0.00 +0.061 A ATOM 12 C LIG 1 5.476 -3.747 1.800 0.00 0.00 +0.067 C ATOM 13 N LIG 1 3.873 -2.297 0.666 0.00 0.00 -0.169 NA ENDBRANCH 3 7 BRANCH 1 15 ATOM 14 N LIG 1 -1.738 -1.323 -1.683 0.00 0.00 -0.179 NA ATOM 15 N LIG 1 -1.037 -0.386 -2.126 0.00 0.00 -0.113 NA BRANCH 14 16 ATOM 16 C LIG 1 -3.077 -1.359 -2.286 0.00 0.00 +0.201 C BRANCH 16 21 ATOM 17 C LIG 1 -5.689 -0.980 0.470 0.00 0.00 +0.165 A ATOM 18 C LIG 1 -5.988 0.388 0.354 0.00 0.00 +0.204 A ATOM 19 C LIG 1 -5.378 1.191 -0.626 0.00 0.00 +0.165 A ATOM 20 C LIG 1 -4.435 0.613 -1.478 0.00 0.00 +0.055 A ATOM 21 C LIG 1 -4.118 -0.752 -1.375 0.00 0.00 -0.017 A ATOM 22 C LIG 1 -4.742 -1.538 -0.391 0.00 0.00 +0.055 A BRANCH 17 24 ATOM 23 C LIG 1 -6.172 -3.074 1.508 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -6.354 -1.666 1.454 0.00 0.00 -0.491 OA ENDBRANCH 17 24 BRANCH 18 25 ATOM 25 O LIG 1 -6.951 0.938 1.173 0.00 0.00 -0.488 OA ATOM 26 C LIG 1 -6.340 1.459 2.353 0.00 0.00 +0.277 C ENDBRANCH 18 25 BRANCH 19 27 ATOM 27 O LIG 1 -5.757 2.508 -0.655 0.00 0.00 -0.491 OA ATOM 28 C LIG 1 -5.233 3.319 -1.697 0.00 0.00 +0.277 C ENDBRANCH 19 27 ENDBRANCH 16 21 ENDBRANCH 14 16 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 N LIG 1 2.657 2.169 -1.133 0.00 0.00 -0.283 N ATOM 30 H LIG 1 2.039 2.826 -1.585 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 3.887 2.673 -0.690 0.00 0.00 +0.034 A ATOM 32 C LIG 1 4.184 4.023 -0.938 0.00 0.00 +0.023 A ATOM 33 C LIG 1 5.395 4.594 -0.528 0.00 0.00 +0.005 A ATOM 34 C LIG 1 6.341 3.827 0.152 0.00 0.00 -0.050 A ATOM 35 C LIG 1 7.654 4.421 0.565 0.00 0.00 +0.044 C ATOM 36 C LIG 1 6.065 2.479 0.390 0.00 0.00 +0.005 A ATOM 37 C LIG 1 4.851 1.913 -0.023 0.00 0.00 +0.023 A ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 9