REMARK Name = BDB026204 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.016 -1.185 0.048 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.256 0.005 0.117 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.141 -0.051 0.191 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.823 -1.281 0.201 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.048 -2.449 0.121 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.625 -3.660 0.092 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.345 -2.409 0.049 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.452 -3.507 -2.251 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.970 -2.873 -0.941 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.047 -2.567 0.040 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -7.313 -2.129 -0.542 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.596 -1.584 1.057 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.066 -1.534 1.245 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.427 -1.087 -0.017 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -4.027 -1.671 -1.245 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.296 -1.312 0.264 0.00 0.00 -0.022 C ATOM 17 C LIG 1 3.149 -0.134 -0.112 0.00 0.00 +0.147 C ATOM 18 N LIG 1 4.489 -0.649 0.069 0.00 0.00 -0.259 N ATOM 19 C LIG 1 5.593 0.112 -0.198 0.00 0.00 +0.404 C ATOM 20 O LIG 1 5.541 1.259 -0.623 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 4.520 -1.997 0.585 0.00 0.00 +0.139 C ATOM 22 C LIG 1 3.071 -2.334 0.663 0.00 0.00 -0.002 C BRANCH 19 23 ATOM 23 O LIG 1 6.747 -0.563 0.066 0.00 0.00 -0.444 OA BRANCH 23 24 ATOM 24 C LIG 1 7.994 0.137 -0.176 0.00 0.00 +0.112 C ATOM 25 C LIG 1 9.203 -0.506 0.578 0.00 0.00 +0.048 C ATOM 26 C LIG 1 8.962 0.505 1.712 0.00 0.00 +0.008 C ATOM 27 C LIG 1 8.273 1.413 0.678 0.00 0.00 +0.048 C ATOM 28 C LIG 1 8.266 0.250 -1.673 0.00 0.00 +0.056 C ENDBRANCH 23 24 ENDBRANCH 19 23 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -2.001 1.205 0.091 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -3.004 1.030 0.049 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.533 2.495 0.076 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.361 2.856 0.088 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.616 3.516 -0.061 0.00 0.00 +0.062 A ATOM 34 C LIG 1 -3.707 3.716 0.889 0.00 0.00 +0.036 A ATOM 35 C LIG 1 -4.609 4.691 0.660 0.00 0.00 +0.080 A ATOM 36 C LIG 1 -4.505 5.557 -0.542 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.331 6.432 -0.762 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.437 5.305 -1.364 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.349 5.906 -2.176 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.509 4.320 -1.133 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.791 2.863 2.116 0.00 0.00 +0.372 C ATOM 42 F LIG 1 -4.213 1.611 1.792 0.00 0.00 -0.204 F ATOM 43 F LIG 1 -2.588 2.727 2.728 0.00 0.00 -0.204 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7