REMARK Name = BDB032846 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.363 0.082 -1.649 0.00 0.00 +0.041 A ATOM 2 C LIG 1 -0.100 0.632 -1.346 0.00 0.00 -0.013 A ATOM 3 C LIG 1 1.004 0.147 -2.079 0.00 0.00 +0.041 A ATOM 4 C LIG 1 0.838 -0.777 -3.123 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.426 -1.274 -3.428 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.525 -0.855 -2.683 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -3.156 -0.574 -0.185 0.00 0.00 -0.311 N ATOM 8 H LIG 1 -2.813 -1.516 -0.328 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.575 0.460 -0.885 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.980 1.613 -0.896 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 -4.417 -0.392 0.504 0.00 0.00 +0.104 C BRANCH 11 13 ATOM 12 C LIG 1 -5.959 -1.292 2.277 0.00 0.00 +0.005 C ATOM 13 C LIG 1 -4.635 -1.475 1.553 0.00 0.00 +0.015 C ENDBRANCH 11 13 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 3 14 ATOM 14 C LIG 1 2.401 0.553 -1.791 0.00 0.00 +0.250 C ATOM 15 N LIG 1 2.851 0.135 -0.562 0.00 0.00 -0.261 N ATOM 16 H LIG 1 2.246 -0.387 0.066 0.00 0.00 +0.157 HD ATOM 17 O LIG 1 3.009 1.165 -2.657 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 4.116 0.400 -0.119 0.00 0.00 +0.167 A ATOM 19 S LIG 1 4.450 -0.219 1.441 0.00 0.00 -0.028 S ATOM 20 C LIG 1 6.017 0.432 1.324 0.00 0.00 +0.185 A ATOM 21 C LIG 1 6.193 1.074 0.122 0.00 0.00 +0.153 A ATOM 22 N LIG 1 5.086 1.052 -0.708 0.00 0.00 -0.231 NA BRANCH 20 23 ATOM 23 N LIG 1 6.973 0.294 2.374 0.00 0.00 +0.065 N ATOM 24 O LIG 1 6.628 -0.304 3.402 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 8.087 0.792 2.173 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 3 14 BRANCH 2 26 ATOM 26 C LIG 1 0.068 1.666 -0.249 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 0.267 1.036 1.105 0.00 0.00 +0.309 C ATOM 28 O LIG 1 0.728 -0.078 1.315 0.00 0.00 -0.251 OA BRANCH 27 29 ATOM 29 O LIG 1 -0.046 1.858 2.122 0.00 0.00 -0.480 OA ATOM 30 H LIG 1 0.125 1.350 2.942 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 9