REMARK Name = BDB028026 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.817 -0.531 0.060 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -1.035 -0.247 -1.066 0.00 0.00 +0.007 A ATOM 3 C LIG 1 0.318 0.088 -0.934 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.905 0.149 0.328 0.00 0.00 +0.122 A ATOM 5 C LIG 1 0.125 -0.131 1.453 0.00 0.00 +0.046 A ATOM 6 C LIG 1 -1.225 -0.466 1.325 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -3.277 -0.873 -0.090 0.00 0.00 +0.042 C BRANCH 7 8 ATOM 8 C LIG 1 -4.144 0.379 -0.107 0.00 0.00 +0.078 C BRANCH 8 10 ATOM 9 C LIG 1 -6.375 -0.219 1.029 0.00 0.00 +0.086 C ATOM 10 C LIG 1 -5.599 -0.002 -0.243 0.00 0.00 +0.131 C ATOM 11 O LIG 1 -6.117 -0.167 -1.347 0.00 0.00 -0.298 OA ENDBRANCH 8 10 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 12 ATOM 12 O LIG 1 2.205 0.458 0.608 0.00 0.00 -0.480 OA BRANCH 12 13 ATOM 13 C LIG 1 3.076 0.818 -0.459 0.00 0.00 +0.259 C ATOM 14 C LIG 1 3.609 -0.407 -1.206 0.00 0.00 +0.260 C ATOM 15 O LIG 1 3.228 -0.721 -2.332 0.00 0.00 -0.271 OA ATOM 16 N LIG 1 4.573 -1.141 -0.559 0.00 0.00 -0.253 N ATOM 17 H LIG 1 4.914 -1.945 -1.068 0.00 0.00 +0.158 HD ATOM 18 C LIG 1 5.435 -0.663 0.394 0.00 0.00 +0.219 C ATOM 19 O LIG 1 6.474 -1.260 0.662 0.00 0.00 -0.275 OA ATOM 20 C LIG 1 5.036 0.614 1.093 0.00 0.00 +0.100 C ATOM 21 C LIG 1 4.276 1.543 0.155 0.00 0.00 +0.063 C ENDBRANCH 12 13 ENDBRANCH 4 12 TORSDOF 5