REMARK Name = BDB011354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.851 -0.825 0.755 0.00 0.00 +0.057 A ATOM 2 N LIG 1 -1.130 0.081 -0.039 0.00 0.00 -0.338 N ATOM 3 C LIG 1 0.172 -0.325 -0.023 0.00 0.00 +0.057 A ATOM 4 C LIG 1 1.467 0.102 -0.613 0.00 0.00 +0.154 C ATOM 5 N LIG 1 2.321 -1.020 -0.136 0.00 0.00 -0.282 N ATOM 6 C LIG 1 1.637 -1.957 0.651 0.00 0.00 +0.249 C ATOM 7 O LIG 1 2.061 -2.972 1.173 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.283 -1.481 0.698 0.00 0.00 +0.060 A ATOM 9 C LIG 1 -0.968 -1.801 1.215 0.00 0.00 +0.041 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -5.926 -0.576 1.617 0.00 0.00 +0.321 A ATOM 11 N LIG 1 -5.600 -0.989 0.383 0.00 0.00 -0.159 NA ATOM 12 C LIG 1 -4.280 -1.072 0.120 0.00 0.00 +0.230 A ATOM 13 C LIG 1 -3.285 -0.740 1.029 0.00 0.00 +0.078 A ATOM 14 C LIG 1 -3.752 -0.337 2.262 0.00 0.00 +0.131 A ATOM 15 N LIG 1 -5.058 -0.238 2.580 0.00 0.00 -0.202 NA BRANCH 10 17 ATOM 16 C LIG 1 -8.145 -0.886 0.957 0.00 0.00 +0.280 C ATOM 17 O LIG 1 -7.251 -0.458 1.974 0.00 0.00 -0.466 OA ENDBRANCH 10 17 BRANCH 12 18 ATOM 18 O LIG 1 -3.878 -1.478 -1.142 0.00 0.00 -0.479 OA ATOM 19 C LIG 1 -4.949 -1.928 -1.963 0.00 0.00 +0.279 C ENDBRANCH 12 18 ENDBRANCH 1 13 BRANCH 5 20 ATOM 20 C LIG 1 3.707 -1.170 -0.575 0.00 0.00 +0.082 C ATOM 21 C LIG 1 3.910 -2.400 -1.464 0.00 0.00 +0.050 C ATOM 22 C LIG 1 5.371 -2.504 -1.879 0.00 0.00 +0.161 C ATOM 23 O LIG 1 6.226 -2.533 -0.738 0.00 0.00 -0.380 OA ATOM 24 C LIG 1 6.115 -1.360 0.066 0.00 0.00 +0.161 C ATOM 25 C LIG 1 4.697 -1.191 0.593 0.00 0.00 +0.050 C ENDBRANCH 5 20 BRANCH 4 26 ATOM 26 C LIG 1 1.990 1.438 -0.119 0.00 0.00 -0.021 A ATOM 27 C LIG 1 2.411 2.409 -1.042 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.911 3.640 -0.606 0.00 0.00 +0.019 A ATOM 29 C LIG 1 3.004 3.917 0.761 0.00 0.00 +0.052 A ATOM 30 C LIG 1 2.598 2.956 1.690 0.00 0.00 +0.019 A ATOM 31 C LIG 1 2.098 1.726 1.253 0.00 0.00 +0.007 A BRANCH 29 32 ATOM 32 C LIG 1 3.516 5.180 1.206 0.00 0.00 +0.099 C ATOM 33 N LIG 1 3.930 6.205 1.559 0.00 0.00 -0.191 NA ENDBRANCH 29 32 ENDBRANCH 4 26 BRANCH 2 34 ATOM 34 C LIG 1 -1.706 1.232 -0.736 0.00 0.00 +0.081 C ATOM 35 C LIG 1 -1.263 1.348 -2.195 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -1.492 2.534 0.033 0.00 0.00 +0.030 C ENDBRANCH 2 34 TORSDOF 7