REMARK Name = BDB039057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.702 -3.235 0.397 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.189 -1.949 0.402 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.778 -1.793 0.072 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.208 -0.429 0.369 0.00 0.00 +0.001 A ATOM 5 C LIG 1 4.014 0.628 0.851 0.00 0.00 -0.039 A ATOM 6 C LIG 1 3.457 1.883 1.133 0.00 0.00 +0.006 A ATOM 7 C LIG 1 2.099 2.143 0.926 0.00 0.00 +0.028 A ATOM 8 C LIG 1 1.312 1.095 0.432 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.033 0.983 0.120 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.245 -0.296 -0.368 0.00 0.00 +0.142 A ATOM 11 N LIG 1 0.871 -0.997 -0.327 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 5.479 0.385 1.122 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.841 -0.160 0.153 0.00 0.00 +0.095 A ATOM 14 C LIG 1 6.028 -0.763 0.281 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.017 -4.245 0.283 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.508 -0.845 -0.844 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -2.267 -1.674 -0.004 0.00 0.00 +0.018 A ATOM 18 C LIG 1 -3.486 -2.241 -0.429 0.00 0.00 -0.005 A ATOM 19 C LIG 1 -3.900 -1.979 -1.745 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -3.135 -1.177 -2.597 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -1.939 -0.619 -2.151 0.00 0.00 +0.011 A BRANCH 18 22 ATOM 22 C LIG 1 -4.259 -3.161 0.514 0.00 0.00 +0.184 C ATOM 23 C LIG 1 -4.492 -2.549 1.900 0.00 0.00 +0.059 C BRANCH 22 24 ATOM 24 C LIG 1 -5.644 -3.623 -0.003 0.00 0.00 +0.341 C ATOM 25 O LIG 1 -6.552 -2.896 -0.378 0.00 0.00 -0.247 OA BRANCH 24 26 ATOM 26 O LIG 1 -5.765 -4.979 0.035 0.00 0.00 -0.478 OA ATOM 27 H LIG 1 -4.921 -5.339 0.402 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 22 24 BRANCH 22 28 ATOM 28 O LIG 1 -3.481 -4.372 0.699 0.00 0.00 -0.373 OA ATOM 29 H LIG 1 -2.768 -4.362 0.030 0.00 0.00 +0.211 HD ENDBRANCH 22 28 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 31 ATOM 30 C LIG 1 7.619 -4.571 0.544 0.00 0.00 +0.282 C ATOM 31 O LIG 1 7.056 -3.260 0.536 0.00 0.00 -0.454 OA ENDBRANCH 1 31 BRANCH 9 32 ATOM 32 C LIG 1 -1.009 2.064 0.296 0.00 0.00 +0.091 C ATOM 33 C LIG 1 -2.233 1.651 1.122 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 C LIG 1 -1.375 2.717 -1.050 0.00 0.00 +0.060 C BRANCH 34 35 ATOM 35 C LIG 1 -1.962 4.101 -0.895 0.00 0.00 -0.045 A ATOM 36 C LIG 1 -1.124 5.206 -0.690 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -1.665 6.482 -0.530 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -3.046 6.666 -0.573 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -3.887 5.574 -0.778 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -3.348 4.296 -0.939 0.00 0.00 +0.004 A ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 9 32 TORSDOF 9