REMARK Name = BDB039201 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.120 -0.065 1.231 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.108 -0.570 0.434 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.820 0.115 0.479 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.688 -0.628 -0.184 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.891 -1.856 -0.853 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.816 -2.535 -1.440 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.521 -2.010 -1.415 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.330 -0.778 -0.773 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.791 0.021 -0.549 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.366 1.133 0.170 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.934 1.056 0.396 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.266 -2.474 -0.876 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.379 -0.103 -0.168 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.361 -1.421 -0.721 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.960 0.814 2.070 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.125 2.343 0.664 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -1.327 3.406 -0.428 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -2.513 4.341 -0.146 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -2.639 4.625 1.353 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.889 3.353 2.168 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -2.371 2.075 1.500 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -2.363 5.626 -0.931 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -2.252 6.755 -0.487 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.392 5.417 -2.262 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.284 6.314 -2.643 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.391 -0.163 1.796 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.323 -0.654 0.985 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.122 -0.371 -1.020 0.00 0.00 +0.090 C ATOM 29 C LIG 1 -2.864 0.696 -1.827 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.998 -1.005 0.083 0.00 0.00 +0.060 C BRANCH 30 31 ATOM 31 C LIG 1 -2.737 -2.488 0.272 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -3.399 -3.476 -0.488 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.446 -3.129 -1.511 0.00 0.00 +0.044 C ATOM 34 C LIG 1 -3.090 -4.828 -0.270 0.00 0.00 +0.003 A ATOM 35 C LIG 1 -2.134 -5.202 0.674 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.477 -4.230 1.418 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -1.777 -2.884 1.221 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7