REMARK Name = BDB039025 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.817 -0.068 -0.224 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.699 -0.766 0.198 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.428 -0.051 0.197 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.214 -0.925 0.390 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.324 -2.315 0.628 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.178 -3.107 0.789 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.895 -2.555 0.748 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.798 -1.175 0.532 0.00 0.00 +0.071 A ATOM 9 N LIG 1 -0.270 -0.301 0.431 0.00 0.00 -0.309 N ATOM 10 C LIG 1 0.245 0.960 0.220 0.00 0.00 +0.199 A ATOM 11 N LIG 1 1.555 0.939 0.168 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.686 -2.961 0.651 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.919 -0.369 0.358 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.780 -1.964 1.023 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.780 1.047 -0.731 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -0.557 2.052 0.079 0.00 0.00 -0.301 N ATOM 17 C LIG 1 -0.382 3.032 1.177 0.00 0.00 +0.108 C ATOM 18 C LIG 1 -1.060 4.353 0.832 0.00 0.00 +0.019 C ATOM 19 C LIG 1 -0.406 5.000 -0.389 0.00 0.00 +0.003 C ATOM 20 C LIG 1 0.240 3.969 -1.314 0.00 0.00 +0.019 C ATOM 21 C LIG 1 -0.517 2.645 -1.280 0.00 0.00 +0.108 C ENDBRANCH 10 16 BRANCH 1 23 ATOM 22 C LIG 1 9.149 -0.069 -0.445 0.00 0.00 +0.282 C ATOM 23 O LIG 1 7.974 -0.757 -0.015 0.00 0.00 -0.454 OA ENDBRANCH 1 23 BRANCH 9 24 ATOM 24 C LIG 1 -1.681 -0.681 0.513 0.00 0.00 +0.092 C ATOM 25 C LIG 1 -2.358 -0.101 1.759 0.00 0.00 +0.031 C BRANCH 24 26 ATOM 26 C LIG 1 -2.441 -0.360 -0.790 0.00 0.00 +0.060 C BRANCH 26 27 ATOM 27 C LIG 1 -3.696 -1.187 -0.962 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -4.949 -0.663 -0.607 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -6.125 -1.418 -0.747 0.00 0.00 +0.021 A ATOM 30 C LIG 1 -6.023 -2.723 -1.251 0.00 0.00 +0.011 A ATOM 31 C LIG 1 -4.780 -3.254 -1.607 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -3.623 -2.490 -1.464 0.00 0.00 +0.004 A BRANCH 29 33 ATOM 33 C LIG 1 -7.402 -0.823 -0.360 0.00 0.00 +0.179 A ATOM 34 N LIG 1 -8.640 -1.366 -0.577 0.00 0.00 -0.239 N ATOM 35 H LIG 1 -8.899 -2.233 -1.027 0.00 0.00 +0.192 HD ATOM 36 N LIG 1 -9.599 -0.563 -0.100 0.00 0.00 -0.046 NA ATOM 37 N LIG 1 -8.954 0.476 0.405 0.00 0.00 -0.023 NA ATOM 38 N LIG 1 -7.597 0.333 0.250 0.00 0.00 -0.108 NA ENDBRANCH 29 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 9 24 TORSDOF 6