REMARK Name = BDB034799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.008 -3.352 -0.103 0.00 0.00 -0.313 N ATOM 2 H LIG 1 1.238 -4.273 0.269 0.00 0.00 +0.152 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.137 -2.720 -0.672 0.00 0.00 +0.033 A ATOM 4 C LIG 1 2.378 -1.342 -0.573 0.00 0.00 +0.051 A ATOM 5 C LIG 1 3.491 -0.822 -1.203 0.00 0.00 +0.072 A ATOM 6 N LIG 1 3.968 0.497 -1.269 0.00 0.00 -0.292 N ATOM 7 C LIG 1 5.149 0.516 -2.046 0.00 0.00 +0.330 A ATOM 8 N LIG 1 5.391 -0.820 -2.428 0.00 0.00 -0.295 N ATOM 9 C LIG 1 6.478 -1.268 -3.248 0.00 0.00 +0.154 C ATOM 10 O LIG 1 5.824 1.495 -2.326 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 4.371 -1.632 -1.921 0.00 0.00 +0.070 A ATOM 12 C LIG 1 4.167 -2.987 -2.050 0.00 0.00 +0.030 A ATOM 13 C LIG 1 3.035 -3.523 -1.423 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 3.310 1.672 -0.748 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 4.020 2.292 0.463 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 3.772 1.609 1.824 0.00 0.00 +0.062 C ATOM 17 C LIG 1 2.309 1.710 2.263 0.00 0.00 +0.041 C ATOM 18 C LIG 1 4.667 2.252 2.890 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 4.107 0.224 1.772 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 4.942 0.136 1.278 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 26 ATOM 21 C LIG 1 -1.907 -1.152 0.602 0.00 0.00 +0.127 A ATOM 22 N LIG 1 -2.482 -1.733 1.687 0.00 0.00 -0.249 NA ATOM 23 C LIG 1 -1.898 -2.864 2.144 0.00 0.00 +0.133 A ATOM 24 C LIG 1 -0.764 -3.436 1.583 0.00 0.00 +0.080 A ATOM 25 CL LIG 1 -0.121 -4.886 2.261 0.00 0.00 -0.080 Cl ATOM 26 C LIG 1 -0.164 -2.814 0.477 0.00 0.00 +0.054 A ATOM 27 C LIG 1 -0.767 -1.655 -0.021 0.00 0.00 +0.057 A BRANCH 21 32 ATOM 28 C LIG 1 -6.133 -0.697 -1.611 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -6.213 -0.341 -0.121 0.00 0.00 +0.004 C ATOM 30 C LIG 1 -4.864 -0.587 0.572 0.00 0.00 +0.111 C ATOM 31 N LIG 1 -3.848 0.407 0.221 0.00 0.00 -0.296 N ATOM 32 C LIG 1 -2.480 0.141 0.101 0.00 0.00 +0.265 C ATOM 33 O LIG 1 -1.700 0.952 -0.406 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 -4.299 1.766 -0.067 0.00 0.00 +0.111 C ATOM 35 C LIG 1 -5.652 2.071 0.578 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -6.068 3.518 0.329 0.00 0.00 +0.009 C ATOM 37 C LIG 1 -6.728 1.096 0.078 0.00 0.00 +0.009 C ENDBRANCH 21 32 ENDBRANCH 1 26 TORSDOF 7