REMARK Name = BDB010480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.091 -1.442 0.392 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.037 -0.831 0.941 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.463 -1.181 2.218 0.00 0.00 +0.186 A ATOM 4 N LIG 1 1.616 -0.546 2.563 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.939 0.173 1.516 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -0.168 -2.060 3.013 0.00 0.00 -0.190 NA ATOM 7 C LIG 1 -1.259 -2.553 2.418 0.00 0.00 +0.274 A ATOM 8 N LIG 1 0.932 0.149 0.565 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -1.751 -2.309 1.185 0.00 0.00 -0.195 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 3.073 0.909 1.347 0.00 0.00 -0.289 N ATOM 11 C LIG 1 4.224 0.292 0.592 0.00 0.00 +0.132 C ATOM 12 C LIG 1 5.431 0.042 1.533 0.00 0.00 +0.187 C ATOM 13 O LIG 1 5.941 1.254 2.124 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 4.909 2.214 2.401 0.00 0.00 +0.179 C ATOM 15 C LIG 1 3.527 1.578 2.598 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 3.886 -0.937 -0.246 0.00 0.00 -0.025 A ATOM 17 C LIG 1 3.810 -0.833 -1.645 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.492 -1.944 -2.429 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.244 -3.175 -1.827 0.00 0.00 +0.000 A ATOM 20 C LIG 1 3.318 -3.298 -0.443 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.642 -2.190 0.343 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 S LIG 1 -2.183 -3.727 3.390 0.00 0.00 +0.029 S ATOM 23 O LIG 1 -2.719 -3.040 4.554 0.00 0.00 -0.167 OA ATOM 24 O LIG 1 -1.387 -4.939 3.531 0.00 0.00 -0.167 OA ATOM 25 C LIG 1 -3.570 -4.148 2.371 0.00 0.00 +0.204 C ENDBRANCH 7 22 BRANCH 1 26 ATOM 26 N LIG 1 -1.546 -1.194 -0.893 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -0.798 -1.024 -1.551 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 -2.067 -3.278 -2.058 0.00 0.00 +0.028 C ATOM 29 C LIG 1 -2.637 -2.002 -1.442 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 -3.405 -1.137 -2.450 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -2.763 -0.704 -3.800 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.192 -0.709 -4.387 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.559 -1.743 -3.300 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 0.860 1.029 -0.585 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.065 2.342 -0.408 0.00 0.00 +0.009 C ATOM 36 C LIG 1 0.633 3.243 0.701 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -0.117 4.572 0.788 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -1.622 4.357 0.993 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.356 5.695 1.029 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -2.197 3.450 -0.104 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.442 2.124 -0.198 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8