REMARK Name = BDB028173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.443 -0.244 1.129 0.00 0.00 +0.083 A ATOM 2 C LIG 1 -1.247 0.434 0.569 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.364 1.789 0.280 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.277 2.499 -0.237 0.00 0.00 +0.014 A ATOM 5 C LIG 1 0.935 1.843 -0.474 0.00 0.00 +0.011 A ATOM 6 C LIG 1 1.082 0.469 -0.209 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -2.647 2.468 0.516 0.00 0.00 +0.272 A ATOM 8 O LIG 1 -2.791 3.662 0.277 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.662 1.687 1.012 0.00 0.00 -0.242 N ATOM 10 H LIG 1 -4.557 2.137 1.179 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 -0.032 -0.220 0.317 0.00 0.00 +0.020 A ATOM 12 N LIG 1 -3.579 0.365 1.320 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.352 -0.241 -0.455 0.00 0.00 +0.093 A ATOM 14 N LIG 1 2.648 -1.246 0.403 0.00 0.00 -0.149 NA ATOM 15 N LIG 1 3.804 -1.969 0.264 0.00 0.00 -0.157 NA ATOM 16 C LIG 1 4.650 -1.675 -0.739 0.00 0.00 +0.135 A ATOM 17 C LIG 1 4.394 -0.666 -1.643 0.00 0.00 +0.024 A ATOM 18 C LIG 1 3.220 0.066 -1.498 0.00 0.00 +0.032 A ENDBRANCH 6 13 BRANCH 1 19 ATOM 19 C LIG 1 -2.377 -1.724 1.496 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -2.541 -2.522 0.280 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -2.582 -3.508 0.538 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.455 -2.306 -0.123 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 3