REMARK Name = BDB028015 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.878 0.274 -0.570 0.00 0.00 +0.066 A ATOM 2 C LIG 1 -1.087 0.790 -1.602 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.296 0.576 -1.593 0.00 0.00 +0.048 A ATOM 4 C LIG 1 0.908 -0.149 -0.567 0.00 0.00 +0.122 A ATOM 5 C LIG 1 0.122 -0.659 0.463 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -1.263 -0.450 0.462 0.00 0.00 +0.031 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.411 -0.070 1.073 0.00 0.00 +0.067 C ATOM 8 C LIG 1 -5.300 0.322 0.173 0.00 0.00 +0.060 A ATOM 9 N LIG 1 -4.046 -0.043 0.458 0.00 0.00 -0.172 NA ATOM 10 N LIG 1 -3.288 0.470 -0.546 0.00 0.00 -0.240 N ATOM 11 C LIG 1 -4.068 1.151 -1.456 0.00 0.00 +0.115 A ATOM 12 C LIG 1 -5.368 1.072 -1.016 0.00 0.00 +0.044 A ENDBRANCH 1 10 BRANCH 4 13 ATOM 13 O LIG 1 2.262 -0.273 -0.697 0.00 0.00 -0.480 OA BRANCH 13 14 ATOM 14 C LIG 1 2.977 -1.067 0.243 0.00 0.00 +0.259 C ATOM 15 C LIG 1 3.277 -0.298 1.532 0.00 0.00 +0.260 C ATOM 16 O LIG 1 2.693 -0.515 2.591 0.00 0.00 -0.271 OA ATOM 17 N LIG 1 4.270 0.649 1.457 0.00 0.00 -0.253 N ATOM 18 H LIG 1 4.455 1.145 2.317 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 5.310 0.648 0.564 0.00 0.00 +0.219 C ATOM 20 O LIG 1 6.324 1.308 0.775 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 5.137 -0.188 -0.682 0.00 0.00 +0.100 C ATOM 22 C LIG 1 4.316 -1.440 -0.397 0.00 0.00 +0.063 C ENDBRANCH 13 14 ENDBRANCH 4 13 TORSDOF 3