REMARK Name = BDB019395 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.018 -1.238 -0.136 0.00 0.00 +0.164 C ATOM 2 N LIG 1 -1.362 -0.702 0.049 0.00 0.00 -0.286 N ATOM 3 C LIG 1 -2.229 -1.290 0.939 0.00 0.00 +0.237 C ATOM 4 O LIG 1 -1.899 -2.299 1.570 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -1.609 0.410 -0.856 0.00 0.00 +0.140 C ATOM 6 C LIG 1 -0.277 0.652 -1.574 0.00 0.00 +0.134 C ATOM 7 C LIG 1 0.407 -0.713 -1.503 0.00 0.00 +0.065 C ENDROOT BRANCH 1 10 ATOM 8 N LIG 1 2.068 -1.482 1.125 0.00 0.00 -0.310 N ATOM 9 H LIG 1 2.215 -2.292 0.539 0.00 0.00 +0.149 HD ATOM 10 C LIG 1 0.941 -0.708 0.950 0.00 0.00 +0.234 C ATOM 11 O LIG 1 0.754 0.353 1.543 0.00 0.00 -0.274 OA BRANCH 8 12 ATOM 12 C LIG 1 3.152 -1.072 1.987 0.00 0.00 +0.139 C BRANCH 12 16 ATOM 13 C LIG 1 6.274 0.742 -0.400 0.00 0.00 -0.010 A ATOM 14 C LIG 1 6.341 -0.614 -0.054 0.00 0.00 +0.009 A ATOM 15 C LIG 1 5.339 -1.202 0.723 0.00 0.00 +0.006 A ATOM 16 C LIG 1 4.255 -0.440 1.177 0.00 0.00 -0.030 A ATOM 17 C LIG 1 4.184 0.915 0.827 0.00 0.00 +0.006 A ATOM 18 C LIG 1 5.186 1.502 0.049 0.00 0.00 +0.009 A BRANCH 13 21 ATOM 19 C LIG 1 9.423 1.024 0.259 0.00 0.00 +0.067 C ATOM 20 C LIG 1 8.692 1.471 -0.957 0.00 0.00 +0.053 A ATOM 21 C LIG 1 7.332 1.349 -1.206 0.00 0.00 +0.042 A ATOM 22 S LIG 1 6.964 2.032 -2.741 0.00 0.00 -0.075 S ATOM 23 C LIG 1 8.616 2.425 -2.948 0.00 0.00 +0.156 A ATOM 24 N LIG 1 9.420 2.088 -1.966 0.00 0.00 -0.252 NA ENDBRANCH 13 21 ENDBRANCH 12 16 ENDBRANCH 8 12 ENDBRANCH 1 10 BRANCH 6 25 ATOM 25 O LIG 1 -0.454 1.037 -2.927 0.00 0.00 -0.390 OA ATOM 26 H LIG 1 -0.738 1.968 -2.933 0.00 0.00 +0.210 HD ENDBRANCH 6 25 BRANCH 3 27 ATOM 27 C LIG 1 -3.644 -0.675 1.106 0.00 0.00 +0.165 C BRANCH 27 28 ATOM 28 C LIG 1 -3.825 0.097 2.454 0.00 0.00 -0.011 C ATOM 29 C LIG 1 -3.624 -0.795 3.694 0.00 0.00 +0.013 C ATOM 30 C LIG 1 -2.832 1.273 2.539 0.00 0.00 +0.013 C ATOM 31 C LIG 1 -5.251 0.688 2.514 0.00 0.00 +0.013 C ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 N LIG 1 -4.582 -1.807 0.991 0.00 0.00 -0.300 N ATOM 33 H LIG 1 -4.392 -2.564 1.644 0.00 0.00 +0.150 HD ATOM 34 C LIG 1 -5.076 -2.326 -0.182 0.00 0.00 +0.245 C ATOM 35 O LIG 1 -5.364 -3.514 -0.273 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -5.263 -1.446 -1.352 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -5.995 -0.259 -1.244 0.00 0.00 +0.032 A ATOM 38 C LIG 1 -6.162 0.553 -2.370 0.00 0.00 +0.052 A ATOM 39 C LIG 1 -5.611 0.165 -3.598 0.00 0.00 +0.019 A ATOM 40 C LIG 1 -4.904 -1.035 -3.705 0.00 0.00 +0.002 A ATOM 41 C LIG 1 -4.736 -1.846 -2.583 0.00 0.00 +0.013 A BRANCH 38 42 ATOM 42 C LIG 1 -6.891 1.783 -2.265 0.00 0.00 +0.099 C ATOM 43 N LIG 1 -7.465 2.787 -2.173 0.00 0.00 -0.191 NA ENDBRANCH 38 42 ENDBRANCH 34 36 ENDBRANCH 27 32 ENDBRANCH 3 27 TORSDOF 10