REMARK Name = BDB026255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.309 0.199 0.511 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.291 1.040 0.001 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.508 2.413 -0.146 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.739 2.991 0.217 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.731 2.138 0.730 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -3.929 2.631 1.081 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.528 0.766 0.878 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -1.285 -4.044 3.074 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -0.652 -3.227 1.939 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -0.575 -3.911 0.626 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -0.308 -5.338 0.661 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -1.586 -3.484 -0.357 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.001 -4.005 -0.063 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -1.602 -1.932 -0.569 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.044 -1.187 0.590 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -1.335 -1.822 1.885 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -1.965 4.442 0.060 0.00 0.00 -0.014 A ATOM 18 C LIG 1 -1.642 5.091 -1.149 0.00 0.00 +0.025 A ATOM 19 C LIG 1 -1.861 6.475 -1.272 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -2.391 7.235 -0.228 0.00 0.00 +0.078 A ATOM 21 N LIG 1 -2.550 8.585 -0.494 0.00 0.00 -0.247 NA ATOM 22 C LIG 1 -2.145 8.839 -1.717 0.00 0.00 +0.157 A ATOM 23 C LIG 1 -2.713 6.587 0.978 0.00 0.00 +0.029 A ATOM 24 S LIG 1 -1.561 7.507 -2.620 0.00 0.00 -0.075 S ATOM 25 C LIG 1 -2.497 5.208 1.108 0.00 0.00 +0.011 A ENDBRANCH 4 17 BRANCH 2 26 ATOM 26 N LIG 1 0.918 0.384 -0.306 0.00 0.00 -0.280 N ATOM 27 H LIG 1 0.878 -0.601 -0.043 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 2.067 0.899 -0.852 0.00 0.00 +0.250 C ATOM 29 O LIG 1 2.265 2.066 -1.163 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 3.164 -0.116 -0.994 0.00 0.00 +0.062 A ATOM 31 C LIG 1 4.541 0.180 -0.610 0.00 0.00 +0.036 A ATOM 32 C LIG 1 5.472 -0.788 -0.705 0.00 0.00 +0.080 A ATOM 33 C LIG 1 5.140 -2.139 -1.227 0.00 0.00 +0.252 A ATOM 34 O LIG 1 6.017 -2.995 -1.275 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 3.821 -2.319 -1.631 0.00 0.00 -0.318 N ATOM 36 C LIG 1 3.411 -3.611 -2.161 0.00 0.00 +0.152 C ATOM 37 C LIG 1 2.867 -1.322 -1.510 0.00 0.00 +0.102 A BRANCH 31 38 ATOM 38 C LIG 1 4.897 1.549 -0.101 0.00 0.00 +0.372 C ATOM 39 F LIG 1 6.049 1.509 0.632 0.00 0.00 -0.204 F ATOM 40 F LIG 1 5.155 2.394 -1.133 0.00 0.00 -0.204 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 5