REMARK Name = BDB016018 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.163 1.804 -1.485 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.489 1.076 -0.576 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.760 1.466 -0.246 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -1.341 2.610 -0.792 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.565 3.281 -1.717 0.00 0.00 +0.125 A ATOM 6 N LIG 1 0.676 2.905 -2.085 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.412 -0.200 -1.561 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.121 0.241 -1.227 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.524 1.358 -1.850 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.278 2.024 -2.833 0.00 0.00 +0.011 A ATOM 11 C LIG 1 4.562 1.596 -3.180 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.124 0.489 -2.548 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 5.605 -3.618 1.838 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.521 -2.851 0.619 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.264 -3.212 -0.442 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 5.952 -2.297 -1.365 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.005 -1.352 -0.903 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.751 -1.747 0.395 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.671 3.088 -0.477 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.161 3.294 0.795 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.439 3.744 0.644 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.368 4.088 1.693 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.817 3.859 -0.643 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.736 3.468 -1.323 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.462 0.689 0.709 0.00 0.00 -0.326 N ATOM 26 H LIG 1 -2.438 0.595 0.390 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -0.981 -0.586 1.169 0.00 0.00 +0.073 C ATOM 28 C LIG 1 -1.244 -1.725 0.160 0.00 0.00 +0.033 C ATOM 29 C LIG 1 -2.506 -2.142 0.974 0.00 0.00 +0.020 C ATOM 30 C LIG 1 -1.977 -1.254 2.140 0.00 0.00 +0.033 C BRANCH 29 31 ATOM 31 C LIG 1 -2.499 -3.639 1.296 0.00 0.00 +0.165 C BRANCH 31 32 ATOM 32 O LIG 1 -3.512 -3.922 2.254 0.00 0.00 -0.394 OA ATOM 33 H LIG 1 -3.434 -4.865 2.482 0.00 0.00 +0.209 HD ENDBRANCH 31 32 ENDBRANCH 29 31 BRANCH 29 34 ATOM 34 C LIG 1 -3.854 -1.718 0.373 0.00 0.00 +0.165 C BRANCH 34 35 ATOM 35 O LIG 1 -3.844 -0.340 -0.005 0.00 0.00 -0.394 OA ATOM 36 H LIG 1 -4.739 -0.136 -0.338 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 29 34 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 9