REMARK Name = BDB029611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.249 1.230 -0.162 0.00 0.00 +0.028 A ATOM 2 C LIG 1 -2.113 1.026 0.632 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -0.789 1.209 0.160 0.00 0.00 +0.042 A ATOM 4 C LIG 1 0.298 0.957 1.172 0.00 0.00 +0.247 C ATOM 5 N LIG 1 1.671 1.097 0.914 0.00 0.00 -0.292 N ATOM 6 C LIG 1 2.332 1.482 -0.362 0.00 0.00 +0.078 C ATOM 7 C LIG 1 1.792 2.763 -1.020 0.00 0.00 +0.030 C ATOM 8 C LIG 1 0.835 1.839 -1.812 0.00 0.00 +0.023 C ATOM 9 C LIG 1 1.873 0.710 -1.610 0.00 0.00 +0.030 C ATOM 10 O LIG 1 -0.062 0.595 2.300 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -0.582 1.597 -1.177 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -1.734 1.760 -1.977 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -3.031 1.568 -1.490 0.00 0.00 +0.023 A ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 -4.500 0.962 0.391 0.00 0.00 -0.341 N ATOM 15 H LIG 1 -4.505 1.112 1.398 0.00 0.00 +0.146 HD BRANCH 14 21 ATOM 16 C LIG 1 -8.838 -2.874 0.244 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -8.610 -1.636 1.074 0.00 0.00 +0.212 C ATOM 18 N LIG 1 -7.673 -0.716 0.604 0.00 0.00 -0.302 N ATOM 19 C LIG 1 -6.663 -1.056 -0.399 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -6.211 0.165 -1.192 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -5.755 1.310 -0.283 0.00 0.00 +0.073 C ATOM 22 C LIG 1 -6.849 1.621 0.745 0.00 0.00 +0.041 C ATOM 23 C LIG 1 -7.324 0.383 1.498 0.00 0.00 +0.109 C ATOM 24 O LIG 1 -9.251 -1.464 2.111 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 5 25 ATOM 25 C LIG 1 2.590 0.859 2.050 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 2.858 -0.627 2.387 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 1.702 -1.297 2.909 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 0.947 -0.668 2.874 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 3.405 -1.461 1.208 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.626 -0.935 0.567 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.878 -1.673 -0.689 0.00 0.00 +0.120 C ATOM 32 C LIG 1 6.176 -1.286 -1.367 0.00 0.00 -0.030 A ATOM 33 C LIG 1 7.219 -0.692 -0.636 0.00 0.00 -0.042 A ATOM 34 C LIG 1 8.425 -0.372 -1.276 0.00 0.00 +0.004 A ATOM 35 C LIG 1 8.604 -0.666 -2.627 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.580 -1.274 -3.350 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.015 -0.342 0.815 0.00 0.00 +0.051 C ATOM 38 C LIG 1 6.372 -1.585 -2.723 0.00 0.00 +0.005 A ATOM 39 C LIG 1 5.807 -1.057 1.438 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 5 25 TORSDOF 7