REMARK Name = BDB032437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.441 -1.293 1.811 0.00 0.00 +0.137 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 -2.331 -1.265 1.459 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -2.711 -0.157 2.126 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -1.728 0.591 2.668 0.00 0.00 +0.115 A ATOM 5 C LIG 1 -0.384 0.263 2.600 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -0.012 -0.908 1.932 0.00 0.00 -0.024 A ATOM 7 C LIG 1 -1.015 -1.687 1.350 0.00 0.00 +0.072 A BRANCH 2 8 ATOM 8 O LIG 1 -3.282 -2.069 0.864 0.00 0.00 -0.473 OA BRANCH 8 9 ATOM 9 C LIG 1 -4.533 -1.415 0.613 0.00 0.00 +0.277 C BRANCH 9 15 ATOM 10 C LIG 1 -6.747 2.159 -0.921 0.00 0.00 +0.135 C ATOM 11 N LIG 1 -5.721 1.165 -0.719 0.00 0.00 -0.267 N ATOM 12 C LIG 1 -4.378 1.478 -0.728 0.00 0.00 +0.403 C ATOM 13 O LIG 1 -3.891 2.594 -0.676 0.00 0.00 -0.226 OA ATOM 14 O LIG 1 -3.646 0.330 -0.871 0.00 0.00 -0.442 OA ATOM 15 C LIG 1 -4.543 -0.793 -0.790 0.00 0.00 +0.233 C ATOM 16 C LIG 1 -5.889 -0.192 -1.138 0.00 0.00 +0.159 C ENDBRANCH 9 15 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 N LIG 1 2.110 -0.339 0.938 0.00 0.00 -0.339 N ATOM 18 H LIG 1 1.535 -0.116 0.129 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 3.457 -0.519 0.567 0.00 0.00 +0.035 A ATOM 20 C LIG 1 4.037 0.324 -0.436 0.00 0.00 +0.008 A ATOM 21 C LIG 1 5.397 0.159 -0.803 0.00 0.00 +0.023 A ATOM 22 C LIG 1 5.923 0.993 -1.823 0.00 0.00 +0.124 A ATOM 23 N LIG 1 5.206 1.943 -2.446 0.00 0.00 -0.240 NA ATOM 24 C LIG 1 3.929 2.105 -2.065 0.00 0.00 +0.113 A ATOM 25 C LIG 1 6.167 -0.816 -0.133 0.00 0.00 +0.012 A ATOM 26 C LIG 1 5.622 -1.592 0.883 0.00 0.00 +0.003 A ATOM 27 C LIG 1 3.315 1.341 -1.089 0.00 0.00 +0.030 A ATOM 28 C LIG 1 4.286 -1.433 1.236 0.00 0.00 +0.023 A BRANCH 22 29 ATOM 29 N LIG 1 7.260 0.881 -2.243 0.00 0.00 -0.343 N ATOM 30 H LIG 1 7.871 1.063 -1.454 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 7.426 -0.060 -2.581 0.00 0.00 +0.144 HD ENDBRANCH 22 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7