REMARK Name = BDB048118 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.148 -2.431 -0.068 0.00 0.00 -0.476 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.034 -1.759 0.172 0.00 0.00 +0.215 A ATOM 3 N LIG 1 -1.009 -0.492 0.634 0.00 0.00 -0.221 NA ATOM 4 C LIG 1 -2.206 0.098 0.846 0.00 0.00 +0.118 A ATOM 5 C LIG 1 -3.435 -0.517 0.625 0.00 0.00 -0.028 A ATOM 6 C LIG 1 -3.418 -1.830 0.148 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -2.200 -2.463 -0.081 0.00 0.00 +0.067 A BRANCH 5 8 ATOM 8 C LIG 1 -4.731 0.214 0.868 0.00 0.00 +0.051 C BRANCH 8 9 ATOM 9 C LIG 1 -5.134 1.128 -0.307 0.00 0.00 +0.104 C BRANCH 9 10 ATOM 10 C LIG 1 -6.213 2.164 0.103 0.00 0.00 -0.003 C ATOM 11 C LIG 1 -7.531 1.542 0.572 0.00 0.00 +0.008 C ATOM 12 C LIG 1 -6.485 3.175 -1.016 0.00 0.00 +0.008 C ENDBRANCH 9 10 BRANCH 9 13 ATOM 13 C LIG 1 -5.585 0.280 -1.480 0.00 0.00 +0.308 C ATOM 14 O LIG 1 -6.278 -0.722 -1.437 0.00 0.00 -0.251 OA BRANCH 13 15 ATOM 15 O LIG 1 -5.143 0.756 -2.661 0.00 0.00 -0.480 OA ATOM 16 H LIG 1 -5.489 0.122 -3.324 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 9 13 ENDBRANCH 8 9 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 17 ATOM 17 C LIG 1 1.310 -1.623 0.149 0.00 0.00 +0.237 C BRANCH 17 18 ATOM 18 C LIG 1 2.539 -2.480 -0.136 0.00 0.00 +0.100 C BRANCH 18 21 ATOM 19 C LIG 1 4.387 -2.094 2.657 0.00 0.00 +0.088 C ATOM 20 C LIG 1 4.534 -1.616 1.272 0.00 0.00 +0.126 A ATOM 21 C LIG 1 3.807 -1.750 0.109 0.00 0.00 +0.086 A ATOM 22 N LIG 1 4.438 -1.069 -0.907 0.00 0.00 -0.214 NA ATOM 23 C LIG 1 5.512 -0.553 -0.339 0.00 0.00 +0.228 A ATOM 24 O LIG 1 5.631 -0.851 0.995 0.00 0.00 -0.440 OA BRANCH 23 25 ATOM 25 C LIG 1 6.563 0.273 -0.928 0.00 0.00 +0.037 A ATOM 26 C LIG 1 6.495 0.613 -2.288 0.00 0.00 +0.013 A ATOM 27 C LIG 1 7.485 1.402 -2.880 0.00 0.00 +0.001 A ATOM 28 C LIG 1 8.558 1.860 -2.119 0.00 0.00 +0.000 A ATOM 29 C LIG 1 8.641 1.531 -0.767 0.00 0.00 +0.001 A ATOM 30 C LIG 1 7.650 0.743 -0.176 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 10