REMARK Name = BDB015916 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.017 0.575 -0.175 0.00 0.00 +0.162 A ATOM 2 N LIG 1 -0.294 0.313 -0.346 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.143 1.351 -0.496 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.685 2.670 -0.516 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.677 2.827 -0.333 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.543 1.811 -0.153 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.197 -1.463 0.391 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.314 -0.384 0.213 0.00 0.00 +0.020 A ATOM 9 C LIG 1 1.930 -0.572 0.010 0.00 0.00 +0.020 A ATOM 10 C LIG 1 1.457 -1.897 -0.008 0.00 0.00 +0.011 A ATOM 11 C LIG 1 2.320 -2.981 0.170 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.682 -2.764 0.369 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 9.140 -1.965 0.454 0.00 0.00 +0.172 C ATOM 14 N LIG 1 7.799 -1.458 0.619 0.00 0.00 -0.274 N ATOM 15 N LIG 1 7.614 -0.248 1.172 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.286 -0.101 1.159 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.614 -1.217 0.605 0.00 0.00 +0.020 A ATOM 18 C LIG 1 6.637 -2.079 0.262 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -1.540 3.822 -0.730 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -1.451 5.015 -0.041 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -2.436 5.819 -0.542 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -2.750 7.167 -0.136 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -3.160 5.235 -1.512 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -2.612 4.022 -1.629 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -2.512 1.074 -0.677 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -3.071 1.690 -0.089 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -2.931 -0.322 -0.567 0.00 0.00 +0.104 C BRANCH 27 28 ATOM 28 C LIG 1 -3.058 -0.764 0.889 0.00 0.00 +0.038 C BRANCH 28 29 ATOM 29 C LIG 1 -3.239 -2.275 1.039 0.00 0.00 +0.113 C BRANCH 29 30 ATOM 30 N LIG 1 -4.486 -2.794 0.511 0.00 0.00 -0.264 N ATOM 31 C LIG 1 -5.723 -2.540 1.051 0.00 0.00 +0.403 C ATOM 32 O LIG 1 -5.953 -1.927 2.079 0.00 0.00 -0.226 OA ATOM 33 O LIG 1 -6.692 -3.061 0.238 0.00 0.00 -0.449 OA ATOM 34 C LIG 1 -6.052 -3.844 -0.777 0.00 0.00 +0.253 C ATOM 35 C LIG 1 -4.620 -3.366 -0.792 0.00 0.00 +0.152 C ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 8