REMARK Name = BDB019375 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.186 0.963 -0.013 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.329 0.721 0.867 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.656 0.466 0.584 0.00 0.00 +0.239 C ATOM 4 O LIG 1 -3.423 0.251 1.536 0.00 0.00 -0.273 OA ATOM 5 C LIG 1 -0.877 0.630 2.253 0.00 0.00 +0.140 C ATOM 6 C LIG 1 0.602 1.033 2.244 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.788 1.716 0.889 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 1.372 -0.145 -1.550 0.00 0.00 -0.310 N ATOM 9 H LIG 1 1.635 0.794 -1.814 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.491 -0.337 -0.504 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.299 -1.430 0.018 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 2.224 -1.217 -2.018 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.115 -0.875 -0.153 0.00 0.00 -0.010 A ATOM 14 C LIG 1 5.891 -0.345 -1.430 0.00 0.00 +0.009 A ATOM 15 C LIG 1 4.638 -0.461 -2.040 0.00 0.00 +0.006 A ATOM 16 C LIG 1 3.587 -1.114 -1.384 0.00 0.00 -0.030 A ATOM 17 C LIG 1 3.809 -1.636 -0.102 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.061 -1.519 0.507 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 7.713 1.814 0.651 0.00 0.00 +0.067 C ATOM 20 C LIG 1 8.143 0.401 0.822 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.426 -0.738 0.479 0.00 0.00 +0.042 A ATOM 22 S LIG 1 8.336 -2.137 0.891 0.00 0.00 -0.075 S ATOM 23 C LIG 1 9.591 -1.133 1.476 0.00 0.00 +0.156 A ATOM 24 N LIG 1 9.388 0.162 1.389 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 3 25 ATOM 25 C LIG 1 -3.245 0.602 -0.873 0.00 0.00 +0.109 C ATOM 26 C LIG 1 -3.283 2.100 -1.240 0.00 0.00 +0.041 C ATOM 27 C LIG 1 -2.444 -0.145 -1.951 0.00 0.00 +0.041 C BRANCH 25 28 ATOM 28 N LIG 1 -4.642 0.065 -0.841 0.00 0.00 -0.279 N ATOM 29 C LIG 1 -4.942 -1.298 -0.821 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -4.213 -2.246 -1.043 0.00 0.00 -0.270 OA ATOM 31 C LIG 1 -6.363 -1.426 -0.482 0.00 0.00 +0.042 A ATOM 32 C LIG 1 -6.865 -0.156 -0.223 0.00 0.00 -0.018 A ATOM 33 C LIG 1 -8.193 0.012 0.128 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -9.003 -1.126 0.210 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -8.481 -2.407 -0.053 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -7.139 -2.567 -0.404 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -5.778 0.854 -0.366 0.00 0.00 +0.145 C ENDBRANCH 25 28 ENDBRANCH 3 25 BRANCH 6 38 ATOM 38 O LIG 1 0.950 1.928 3.289 0.00 0.00 -0.390 OA ATOM 39 H LIG 1 0.274 2.626 3.338 0.00 0.00 +0.210 HD ENDBRANCH 6 38 TORSDOF 7