REMARK Name = BDB043197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.324 0.769 0.968 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.303 -0.005 1.363 0.00 0.00 -0.206 NA ATOM 3 C LIG 1 -0.590 -1.267 1.707 0.00 0.00 +0.196 A ATOM 4 N LIG 1 -1.814 -1.812 1.686 0.00 0.00 -0.207 NA ATOM 5 C LIG 1 -2.833 -1.036 1.287 0.00 0.00 +0.128 A ATOM 6 C LIG 1 -2.613 0.283 0.926 0.00 0.00 +0.087 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -4.138 -1.563 1.254 0.00 0.00 -0.313 N ATOM 8 C LIG 1 -4.300 -2.910 1.845 0.00 0.00 +0.122 C ATOM 9 C LIG 1 -4.280 -3.994 0.747 0.00 0.00 +0.103 C ATOM 10 N LIG 1 -5.399 -3.868 -0.222 0.00 0.00 -0.302 NA ATOM 11 C LIG 1 -5.006 -4.397 -1.525 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.877 -2.470 -0.314 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.801 -1.388 -0.061 0.00 0.00 +0.122 C ENDBRANCH 5 7 BRANCH 1 14 ATOM 14 N LIG 1 -0.963 2.071 0.618 0.00 0.00 -0.283 N ATOM 15 H LIG 1 0.036 2.163 0.762 0.00 0.00 +0.155 HD BRANCH 14 21 ATOM 16 C LIG 1 -2.030 6.606 -1.020 0.00 0.00 +0.065 C ATOM 17 C LIG 1 -2.034 5.192 -0.589 0.00 0.00 +0.035 A ATOM 18 N LIG 1 -3.163 4.425 -0.594 0.00 0.00 -0.280 N ATOM 19 H LIG 1 -4.101 4.692 -0.874 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 -2.963 3.168 -0.172 0.00 0.00 -0.158 NA ATOM 21 C LIG 1 -1.664 3.117 0.137 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -1.041 4.364 -0.117 0.00 0.00 +0.068 A ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 3 23 ATOM 23 S LIG 1 0.733 -2.326 2.258 0.00 0.00 -0.050 S BRANCH 23 24 ATOM 24 C LIG 1 2.140 -1.612 1.433 0.00 0.00 +0.016 A ATOM 25 C LIG 1 2.510 -2.055 0.162 0.00 0.00 +0.017 A ATOM 26 C LIG 1 3.622 -1.501 -0.482 0.00 0.00 +0.024 A ATOM 27 C LIG 1 4.380 -0.498 0.136 0.00 0.00 +0.033 A ATOM 28 C LIG 1 4.013 -0.065 1.411 0.00 0.00 +0.024 A ATOM 29 C LIG 1 2.902 -0.623 2.057 0.00 0.00 +0.017 A BRANCH 27 30 ATOM 30 N LIG 1 5.482 0.010 -0.580 0.00 0.00 -0.285 N ATOM 31 H LIG 1 5.660 -0.405 -1.485 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 6.343 1.012 -0.194 0.00 0.00 +0.220 C ATOM 33 O LIG 1 6.309 1.689 0.822 0.00 0.00 -0.275 OA BRANCH 32 34 ATOM 34 C LIG 1 7.407 1.277 -1.204 0.00 0.00 +0.075 C ATOM 35 C LIG 1 8.331 0.178 -1.680 0.00 0.00 +0.013 C ATOM 36 C LIG 1 8.857 1.256 -0.779 0.00 0.00 +0.013 C ENDBRANCH 32 34 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 7