REMARK Name = BDB020708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.581 1.344 -0.932 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.555 0.320 -0.724 0.00 0.00 -0.017 A ATOM 3 C LIG 1 1.054 -1.096 -0.554 0.00 0.00 +0.046 C ATOM 4 C LIG 1 -0.754 0.705 -0.652 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -1.036 2.105 -0.691 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -0.048 3.102 -0.805 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.653 4.352 -0.761 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -2.041 4.123 -0.662 0.00 0.00 +0.030 A ATOM 9 C LIG 1 -2.243 2.765 -0.606 0.00 0.00 +0.092 A ATOM 10 C LIG 1 1.294 2.656 -0.962 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.048 5.760 -0.804 0.00 0.00 +0.070 A ATOM 12 N LIG 1 -0.536 7.004 -0.890 0.00 0.00 -0.333 N ATOM 13 C LIG 1 -1.933 7.331 -1.010 0.00 0.00 +0.150 C ATOM 14 C LIG 1 0.460 7.942 -0.892 0.00 0.00 +0.199 A ATOM 15 N LIG 1 1.644 7.390 -0.802 0.00 0.00 -0.243 NA ATOM 16 C LIG 1 1.399 6.041 -0.740 0.00 0.00 +0.139 A ENDBRANCH 7 11 BRANCH 1 19 ATOM 17 N LIG 1 3.220 0.369 -2.375 0.00 0.00 -0.307 N ATOM 18 H LIG 1 2.424 0.104 -2.944 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 3.016 1.020 -1.185 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.901 1.336 -0.400 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 4.508 -0.157 -2.760 0.00 0.00 +0.145 C BRANCH 21 27 ATOM 22 C LIG 1 4.621 -4.365 -1.781 0.00 0.00 +0.195 A ATOM 23 N LIG 1 3.895 -3.873 -2.823 0.00 0.00 -0.293 N ATOM 24 H LIG 1 3.365 -4.526 -3.382 0.00 0.00 +0.172 HD ATOM 25 C LIG 1 3.809 -2.550 -3.161 0.00 0.00 +0.256 A ATOM 26 O LIG 1 3.105 -2.169 -4.092 0.00 0.00 -0.267 OA ATOM 27 C LIG 1 4.602 -1.589 -2.323 0.00 0.00 +0.037 A ATOM 28 C LIG 1 5.326 -2.082 -1.292 0.00 0.00 -0.036 A ATOM 29 C LIG 1 6.164 -1.268 -0.345 0.00 0.00 +0.044 C ATOM 30 C LIG 1 5.324 -3.515 -1.016 0.00 0.00 +0.069 A BRANCH 22 32 ATOM 31 C LIG 1 5.240 -6.341 -0.599 0.00 0.00 +0.278 C ATOM 32 O LIG 1 4.518 -5.723 -1.658 0.00 0.00 -0.481 OA ENDBRANCH 22 32 ENDBRANCH 21 27 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 33 ATOM 33 C LIG 1 -1.876 -0.347 -0.557 0.00 0.00 +0.101 C ATOM 34 C LIG 1 -3.107 -0.151 -1.462 0.00 0.00 +0.031 C BRANCH 33 35 ATOM 35 N LIG 1 -2.181 -0.758 0.826 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 -2.705 0.280 1.713 0.00 0.00 +0.086 C ATOM 37 C LIG 1 -3.205 -0.309 3.033 0.00 0.00 +0.034 C ATOM 38 C LIG 1 -4.418 -1.226 2.778 0.00 0.00 +0.058 C ATOM 39 C LIG 1 -4.287 -1.978 1.437 0.00 0.00 +0.034 C ATOM 40 C LIG 1 -2.841 -2.061 0.953 0.00 0.00 +0.086 C BRANCH 38 41 ATOM 41 N LIG 1 -4.725 -2.042 3.974 0.00 0.00 -0.305 NA ATOM 42 C LIG 1 -6.109 -2.521 3.969 0.00 0.00 +0.104 C ATOM 43 C LIG 1 -3.807 -3.157 4.201 0.00 0.00 +0.104 C ENDBRANCH 38 41 ENDBRANCH 33 35 ENDBRANCH 4 33 TORSDOF 8