REMARK Name = BDB034647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.165 -2.317 1.276 0.00 0.00 -0.292 N ATOM 2 C LIG 1 -1.252 -1.901 0.474 0.00 0.00 +0.267 C ATOM 3 O LIG 1 -2.054 -2.722 0.008 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 4 ATOM 4 C LIG 1 0.896 -1.458 1.867 0.00 0.00 +0.091 C ATOM 5 C LIG 1 1.690 -0.667 0.810 0.00 0.00 +0.037 C ATOM 6 C LIG 1 2.608 0.426 1.381 0.00 0.00 +0.091 C ATOM 7 C LIG 1 2.591 0.464 2.917 0.00 0.00 +0.093 C ATOM 8 N LIG 1 1.242 0.506 3.477 0.00 0.00 -0.313 NA ATOM 9 H LIG 1 0.773 1.328 3.077 0.00 0.00 +0.122 HD ATOM 10 C LIG 1 0.452 -0.678 3.128 0.00 0.00 +0.103 C BRANCH 6 11 ATOM 11 C LIG 1 2.247 1.798 0.789 0.00 0.00 +0.220 C ATOM 12 N LIG 1 2.606 2.053 -0.527 0.00 0.00 -0.297 N ATOM 13 C LIG 1 2.261 3.351 -1.117 0.00 0.00 +0.136 C ATOM 14 C LIG 1 3.325 3.803 -2.122 0.00 0.00 +0.179 C ATOM 15 O LIG 1 3.538 2.874 -3.195 0.00 0.00 -0.377 OA ATOM 16 C LIG 1 3.211 1.518 -2.867 0.00 0.00 +0.179 C ATOM 17 C LIG 1 3.416 1.182 -1.386 0.00 0.00 +0.136 C ATOM 18 O LIG 1 1.628 2.635 1.451 0.00 0.00 -0.275 OA ENDBRANCH 6 11 ENDBRANCH 1 4 BRANCH 2 19 ATOM 19 C LIG 1 -1.478 -0.466 0.083 0.00 0.00 +0.146 A ATOM 20 C LIG 1 -1.975 -0.164 -1.201 0.00 0.00 +0.059 A ATOM 21 C LIG 1 -2.124 1.198 -1.508 0.00 0.00 +0.030 A ATOM 22 C LIG 1 -1.846 2.213 -0.578 0.00 0.00 -0.024 A ATOM 23 C LIG 1 -1.405 1.768 0.667 0.00 0.00 +0.115 A ATOM 24 N LIG 1 -1.214 0.475 1.018 0.00 0.00 -0.248 NA BRANCH 22 25 ATOM 25 C LIG 1 -2.026 3.671 -0.950 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -1.202 4.763 -0.311 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -2.662 4.639 0.018 0.00 0.00 +0.009 C ENDBRANCH 22 25 BRANCH 20 28 ATOM 28 N LIG 1 -2.188 -1.166 -2.187 0.00 0.00 -0.335 N ATOM 29 H LIG 1 -2.388 -2.061 -1.712 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -2.922 -1.004 -3.412 0.00 0.00 +0.122 C ATOM 31 C LIG 1 -2.098 -0.429 -4.572 0.00 0.00 +0.184 C ATOM 32 O LIG 1 -2.453 -1.546 -5.429 0.00 0.00 -0.376 OA ATOM 33 C LIG 1 -2.952 -2.274 -4.277 0.00 0.00 +0.184 C ENDBRANCH 28 30 ENDBRANCH 20 28 ENDBRANCH 2 19 BRANCH 1 34 ATOM 34 C LIG 1 -0.070 -3.757 1.561 0.00 0.00 +0.111 C BRANCH 34 36 ATOM 35 C LIG 1 -1.984 -3.808 3.240 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.515 -4.144 2.983 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -0.276 -5.638 3.212 0.00 0.00 +0.009 C ENDBRANCH 34 36 ENDBRANCH 1 34 TORSDOF 8