REMARK Name = BDB011483 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.556 -0.858 -0.383 0.00 0.00 +0.170 C ATOM 2 C LIG 1 -1.517 0.510 -1.081 0.00 0.00 +0.241 C ATOM 3 O LIG 1 -2.396 0.826 -1.889 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.492 1.382 -0.702 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.674 0.978 0.037 0.00 0.00 +0.052 A ATOM 6 C LIG 1 1.374 -0.226 -0.232 0.00 0.00 +0.051 A ATOM 7 C LIG 1 2.521 -0.578 0.528 0.00 0.00 +0.049 A ATOM 8 C LIG 1 2.944 0.263 1.555 0.00 0.00 +0.024 A ATOM 9 C LIG 1 2.272 1.457 1.809 0.00 0.00 +0.004 A ATOM 10 S LIG 1 0.948 -1.259 -1.652 0.00 0.00 -0.119 S ATOM 11 C LIG 1 1.161 1.818 1.050 0.00 0.00 +0.025 A ATOM 12 C LIG 1 -0.675 -1.873 -1.101 0.00 0.00 +0.106 C ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -3.374 -2.300 0.515 0.00 0.00 +0.230 C ATOM 14 N LIG 1 -2.947 -1.306 -0.334 0.00 0.00 -0.302 N ATOM 15 H LIG 1 -3.548 -1.106 -1.135 0.00 0.00 +0.150 HD ATOM 16 O LIG 1 -2.640 -2.806 1.358 0.00 0.00 -0.274 OA BRANCH 13 17 ATOM 17 C LIG 1 -4.863 -2.670 0.314 0.00 0.00 +0.137 C ATOM 18 C LIG 1 -5.225 -3.900 1.151 0.00 0.00 +0.034 C BRANCH 17 20 ATOM 19 C LIG 1 -6.486 -2.791 -1.506 0.00 0.00 +0.101 C ATOM 20 N LIG 1 -5.081 -2.889 -1.138 0.00 0.00 -0.309 NA ATOM 21 H LIG 1 -4.730 -3.816 -1.382 0.00 0.00 +0.122 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 1 14 BRANCH 7 22 ATOM 22 N LIG 1 3.208 -1.770 0.187 0.00 0.00 -0.285 N ATOM 23 H LIG 1 2.817 -2.257 -0.615 0.00 0.00 +0.155 HD ATOM 24 C LIG 1 4.335 -2.317 0.775 0.00 0.00 +0.217 C ATOM 25 O LIG 1 4.912 -1.895 1.771 0.00 0.00 -0.275 OA BRANCH 24 26 ATOM 26 C LIG 1 4.780 -3.583 0.048 0.00 0.00 +0.099 C BRANCH 26 27 ATOM 27 C LIG 1 6.207 -4.030 0.409 0.00 0.00 -0.008 C ATOM 28 C LIG 1 6.455 -5.452 -0.100 0.00 0.00 +0.008 C ATOM 29 C LIG 1 7.253 -3.079 -0.184 0.00 0.00 +0.008 C ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 7 22 BRANCH 4 30 ATOM 30 C LIG 1 -0.573 2.778 -1.165 0.00 0.00 +0.149 C BRANCH 30 31 ATOM 31 C LIG 1 -1.291 3.755 -0.238 0.00 0.00 -0.022 A ATOM 32 C LIG 1 -1.043 5.161 -0.330 0.00 0.00 -0.013 A ATOM 33 C LIG 1 -1.716 6.034 0.565 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -1.482 7.417 0.519 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -0.598 7.965 -0.406 0.00 0.00 +0.001 A ATOM 36 C LIG 1 0.058 7.136 -1.302 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -2.627 5.520 1.497 0.00 0.00 +0.008 A ATOM 38 C LIG 1 -2.895 4.157 1.555 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -0.162 5.756 -1.265 0.00 0.00 +0.009 A ATOM 40 C LIG 1 -2.240 3.286 0.691 0.00 0.00 +0.006 A ENDBRANCH 30 31 ENDBRANCH 4 30 TORSDOF 8