REMARK Name = BDB010797 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.157 -2.163 -1.019 0.00 0.00 +0.120 A ATOM 2 N LIG 1 0.628 -1.154 -0.224 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -0.751 -1.240 -0.286 0.00 0.00 +0.128 A ATOM 4 C LIG 1 -0.974 -2.262 -1.200 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -2.182 -2.689 -1.589 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -3.167 -2.036 -0.980 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -3.065 -1.030 -0.081 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.847 -0.589 0.291 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.191 -2.809 -1.640 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.551 -2.472 -1.273 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -5.559 -1.968 -0.543 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -5.484 -1.311 0.216 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -6.688 -2.521 -1.001 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -7.814 -2.305 -0.581 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.368 -3.374 -2.027 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -4.943 -3.315 -2.173 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 2.917 -3.313 -2.408 0.00 0.00 +0.020 C ATOM 18 C LIG 1 2.629 -2.504 -1.137 0.00 0.00 +0.082 C BRANCH 18 19 ATOM 19 C LIG 1 3.155 -3.248 0.086 0.00 0.00 -0.037 A ATOM 20 C LIG 1 4.346 -2.829 0.705 0.00 0.00 +0.007 A ATOM 21 C LIG 1 4.839 -3.505 1.822 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.149 -4.604 2.321 0.00 0.00 +0.123 A ATOM 23 F LIG 1 4.625 -5.248 3.394 0.00 0.00 -0.205 F ATOM 24 C LIG 1 2.978 -5.044 1.720 0.00 0.00 +0.038 A ATOM 25 C LIG 1 2.482 -4.371 0.602 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 -1.771 0.382 1.282 0.00 0.00 -0.324 N ATOM 27 H LIG 1 -0.826 0.513 1.610 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.441 1.677 1.044 0.00 0.00 +0.072 C ATOM 29 C LIG 1 -1.943 2.628 2.144 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 -3.981 1.592 1.084 0.00 0.00 +0.009 C ATOM 31 C LIG 1 -4.670 1.532 -0.320 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -4.878 3.054 -0.222 0.00 0.00 +0.001 C ATOM 33 C LIG 1 -4.844 2.882 1.304 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 1.403 -0.199 0.551 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 1.380 1.238 -0.013 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.042 1.319 -1.403 0.00 0.00 +0.005 C ATOM 37 C LIG 1 2.498 2.739 -1.715 0.00 0.00 +0.003 C ATOM 38 C LIG 1 3.603 3.194 -0.745 0.00 0.00 -0.014 C ATOM 39 C LIG 1 3.634 4.720 -0.660 0.00 0.00 +0.007 C ATOM 40 C LIG 1 3.463 2.553 0.648 0.00 0.00 +0.003 C ATOM 41 C LIG 1 2.012 2.229 0.988 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8