REMARK Name = BDB063101 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.281 1.966 -1.260 0.00 0.00 +0.110 A ATOM 2 C LIG 1 3.143 2.743 -1.443 0.00 0.00 +0.151 A ATOM 3 F LIG 1 3.208 3.992 -1.923 0.00 0.00 -0.203 F ATOM 4 C LIG 1 1.893 2.232 -1.107 0.00 0.00 +0.070 A ATOM 5 C LIG 1 1.763 0.956 -0.589 0.00 0.00 +0.101 A ATOM 6 C LIG 1 2.935 0.225 -0.420 0.00 0.00 +0.151 A ATOM 7 C LIG 1 2.689 -1.036 0.107 0.00 0.00 +0.247 A ATOM 8 N LIG 1 1.473 -1.532 0.432 0.00 0.00 -0.177 NA ATOM 9 C LIG 1 0.425 -0.734 0.225 0.00 0.00 +0.223 A ATOM 10 N LIG 1 0.539 0.502 -0.279 0.00 0.00 -0.212 NA ATOM 11 N LIG 1 4.172 0.714 -0.744 0.00 0.00 -0.237 NA ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 9.635 3.578 -2.441 0.00 0.00 +0.088 C ATOM 13 C LIG 1 8.233 3.151 -2.141 0.00 0.00 +0.126 A ATOM 14 N LIG 1 7.236 3.829 -2.734 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 5.975 3.431 -2.439 0.00 0.00 +0.124 A ATOM 16 C LIG 1 5.649 2.397 -1.579 0.00 0.00 +0.039 A ATOM 17 C LIG 1 6.767 1.777 -1.042 0.00 0.00 +0.124 A ATOM 18 N LIG 1 8.050 2.127 -1.294 0.00 0.00 -0.240 NA ENDBRANCH 1 16 BRANCH 9 19 ATOM 19 N LIG 1 -0.815 -1.269 0.568 0.00 0.00 -0.281 N ATOM 20 H LIG 1 -0.664 -2.204 0.926 0.00 0.00 +0.155 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.053 -0.746 0.490 0.00 0.00 +0.071 A ATOM 22 C LIG 1 -3.199 -1.399 0.871 0.00 0.00 +0.132 A ATOM 23 N LIG 1 -4.228 -0.528 0.631 0.00 0.00 -0.266 N ATOM 24 N LIG 1 -3.819 0.650 0.121 0.00 0.00 -0.177 NA ATOM 25 C LIG 1 -2.491 0.513 0.034 0.00 0.00 +0.157 A BRANCH 23 26 ATOM 26 C LIG 1 -5.646 -0.778 0.875 0.00 0.00 +0.110 C ATOM 27 C LIG 1 -6.312 0.336 1.701 0.00 0.00 +0.042 C ATOM 28 C LIG 1 -7.117 1.277 0.809 0.00 0.00 +0.086 C ATOM 29 N LIG 1 -8.172 0.593 0.048 0.00 0.00 -0.305 NA ATOM 30 C LIG 1 -9.487 0.737 0.665 0.00 0.00 +0.104 C ATOM 31 C LIG 1 -7.882 -0.811 -0.263 0.00 0.00 +0.086 C ATOM 32 C LIG 1 -6.388 -1.062 -0.438 0.00 0.00 +0.042 C ENDBRANCH 23 26 ENDBRANCH 19 21 ENDBRANCH 9 19 BRANCH 7 33 ATOM 33 O LIG 1 3.812 -1.836 0.318 0.00 0.00 -0.469 OA BRANCH 33 34 ATOM 34 C LIG 1 3.575 -3.174 0.806 0.00 0.00 +0.110 C ATOM 35 C LIG 1 4.594 -3.634 1.825 0.00 0.00 +0.051 C ATOM 36 C LIG 1 3.187 -3.345 2.255 0.00 0.00 +0.051 C ATOM 37 C LIG 1 3.145 -4.158 -0.239 0.00 0.00 +0.056 C ENDBRANCH 33 34 ENDBRANCH 7 33 TORSDOF 6