REMARK Name = BDB048180 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.830 -0.953 -0.148 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.573 0.308 0.445 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.737 0.736 0.664 0.00 0.00 +0.040 A ATOM 4 C LIG 1 1.812 -0.083 0.288 0.00 0.00 +0.061 A ATOM 5 C LIG 1 1.563 -1.328 -0.306 0.00 0.00 +0.017 A ATOM 6 C LIG 1 0.251 -1.759 -0.523 0.00 0.00 +0.026 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -4.070 -4.096 -1.997 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -4.512 -2.902 -1.279 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.042 -2.906 0.126 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -2.535 -2.609 0.320 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.185 -1.333 -0.348 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -2.546 -1.341 -1.787 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -4.052 -1.663 -1.949 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 2 14 ATOM 14 N LIG 1 -1.723 1.052 0.789 0.00 0.00 -0.280 N ATOM 15 H LIG 1 -2.571 0.552 0.535 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 -1.798 2.321 1.310 0.00 0.00 +0.248 C ATOM 17 O LIG 1 -0.863 3.079 1.534 0.00 0.00 -0.270 OA BRANCH 16 18 ATOM 18 C LIG 1 -3.178 2.811 1.590 0.00 0.00 +0.039 A ATOM 19 C LIG 1 -3.425 4.187 1.486 0.00 0.00 +0.048 A ATOM 20 C LIG 1 -4.709 4.669 1.761 0.00 0.00 +0.162 A ATOM 21 C LIG 1 -5.739 3.811 2.129 0.00 0.00 +0.153 A ATOM 22 F LIG 1 -6.981 4.259 2.357 0.00 0.00 -0.203 F ATOM 23 C LIG 1 -5.491 2.446 2.244 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -4.212 1.944 1.982 0.00 0.00 +0.016 A BRANCH 20 25 ATOM 25 N LIG 1 -4.975 6.086 1.648 0.00 0.00 +0.059 N ATOM 26 O LIG 1 -5.583 6.632 2.577 0.00 0.00 -0.126 OA ATOM 27 O LIG 1 -4.549 6.656 0.635 0.00 0.00 -0.126 OA ENDBRANCH 20 25 ENDBRANCH 16 18 ENDBRANCH 2 14 BRANCH 4 28 ATOM 28 C LIG 1 3.195 0.410 0.541 0.00 0.00 +0.340 C ATOM 29 O LIG 1 3.451 1.462 1.101 0.00 0.00 -0.245 OA BRANCH 28 30 ATOM 30 O LIG 1 4.105 -0.474 0.059 0.00 0.00 -0.458 OA BRANCH 30 31 ATOM 31 C LIG 1 5.492 -0.112 0.228 0.00 0.00 +0.177 C ATOM 32 C LIG 1 5.883 0.899 -0.862 0.00 0.00 +0.044 C ATOM 33 C LIG 1 7.343 0.761 -1.270 0.00 0.00 +0.004 C ATOM 34 C LIG 1 7.636 -0.625 -1.847 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.754 -1.729 -1.260 0.00 0.00 +0.004 C ATOM 36 C LIG 1 6.318 -1.407 0.166 0.00 0.00 +0.044 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 4 28 TORSDOF 7