REMARK Name = BDB016063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.640 2.100 0.308 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.731 1.211 -0.140 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.562 1.591 -0.215 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.957 2.880 0.140 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.053 3.714 0.585 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.349 3.357 0.682 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.763 -0.087 0.087 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.431 0.354 0.011 0.00 0.00 +0.020 A ATOM 9 C LIG 1 3.048 1.658 0.391 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.062 2.516 0.852 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.392 2.096 0.932 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.739 0.801 0.550 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 7.000 -4.508 -0.274 0.00 0.00 +0.172 C ATOM 14 N LIG 1 6.107 -3.392 -0.461 0.00 0.00 -0.274 N ATOM 15 N LIG 1 5.093 -3.496 -1.337 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.485 -2.309 -1.251 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.105 -1.440 -0.322 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.157 -2.184 0.174 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.321 3.361 0.090 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.732 4.484 -0.599 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.076 4.590 -0.382 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.966 5.591 -0.917 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.564 3.637 0.433 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.496 2.884 0.709 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.486 0.684 -0.760 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.358 0.672 -0.224 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.008 -0.680 -0.956 0.00 0.00 +0.106 C BRANCH 27 28 ATOM 28 C LIG 1 -2.183 -1.592 -1.329 0.00 0.00 +0.053 C BRANCH 28 29 ATOM 29 C LIG 1 -3.164 -1.861 -0.176 0.00 0.00 +0.068 C ATOM 30 C LIG 1 -4.317 -2.773 -0.611 0.00 0.00 +0.035 C ATOM 31 C LIG 1 -4.848 -3.396 0.682 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -3.754 -3.213 1.733 0.00 0.00 +0.003 C ATOM 33 C LIG 1 -2.551 -2.634 0.993 0.00 0.00 +0.035 C BRANCH 29 34 ATOM 34 O LIG 1 -3.682 -0.614 0.304 0.00 0.00 -0.389 OA ATOM 35 H LIG 1 -4.506 -0.785 0.793 0.00 0.00 +0.210 HD ENDBRANCH 29 34 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8