REMARK Name = BDB047402 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.519 -0.924 0.895 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.178 -2.215 0.492 0.00 0.00 +0.047 A ATOM 3 C LIG 1 -1.003 -2.807 0.956 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.858 -2.116 1.821 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.489 -0.841 2.256 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -0.311 -0.249 1.790 0.00 0.00 +0.047 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.059 -2.731 2.269 0.00 0.00 -0.264 N ATOM 8 C LIG 1 -4.195 -2.910 1.336 0.00 0.00 +0.121 C ATOM 9 C LIG 1 -5.016 -4.162 1.749 0.00 0.00 +0.106 C ATOM 10 N LIG 1 -5.177 -4.360 3.192 0.00 0.00 -0.306 NA ATOM 11 H LIG 1 -6.125 -4.656 3.418 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -4.812 -3.168 3.969 0.00 0.00 +0.178 C ATOM 13 C LIG 1 -3.390 -2.686 3.640 0.00 0.00 +0.234 C ATOM 14 O LIG 1 -2.650 -2.279 4.537 0.00 0.00 -0.274 OA BRANCH 8 15 ATOM 15 C LIG 1 -3.931 -2.989 -0.189 0.00 0.00 +0.184 C BRANCH 15 16 ATOM 16 O LIG 1 -3.367 -1.812 -0.764 0.00 0.00 -0.373 OA BRANCH 16 17 ATOM 17 C LIG 1 -4.285 -0.726 -0.901 0.00 0.00 +0.198 C BRANCH 17 18 ATOM 18 C LIG 1 -3.629 0.484 -1.532 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -4.423 1.566 -1.962 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -3.812 2.695 -2.521 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -2.422 2.761 -2.644 0.00 0.00 +0.004 A ATOM 22 C LIG 1 -1.632 1.703 -2.208 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -2.232 0.574 -1.654 0.00 0.00 +0.009 A BRANCH 19 24 ATOM 24 O LIG 1 -5.776 1.418 -1.784 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 -6.609 2.485 -2.219 0.00 0.00 +0.277 C ENDBRANCH 19 24 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 8 15 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 1.624 -0.224 0.499 0.00 0.00 -0.492 OA BRANCH 26 27 ATOM 27 C LIG 1 2.410 -0.792 -0.548 0.00 0.00 +0.231 C BRANCH 27 28 ATOM 28 C LIG 1 3.481 0.215 -0.954 0.00 0.00 +0.069 C BRANCH 28 29 ATOM 29 C LIG 1 2.870 1.507 -1.492 0.00 0.00 +0.163 C BRANCH 29 30 ATOM 30 O LIG 1 3.848 2.374 -2.069 0.00 0.00 -0.375 OA BRANCH 30 31 ATOM 31 C LIG 1 4.703 3.007 -1.109 0.00 0.00 +0.198 C BRANCH 31 33 ATOM 32 C LIG 1 6.767 2.250 0.173 0.00 0.00 +0.125 A ATOM 33 C LIG 1 6.059 2.339 -1.040 0.00 0.00 +0.020 A ATOM 34 C LIG 1 6.651 1.844 -2.216 0.00 0.00 +0.009 A ATOM 35 C LIG 1 7.909 1.246 -2.187 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.597 1.147 -0.983 0.00 0.00 +0.004 A ATOM 37 C LIG 1 8.031 1.649 0.192 0.00 0.00 +0.046 A BRANCH 32 39 ATOM 38 C LIG 1 6.783 2.616 2.532 0.00 0.00 +0.277 C ATOM 39 O LIG 1 6.146 2.784 1.272 0.00 0.00 -0.495 OA ENDBRANCH 32 39 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14