REMARK Name = BDB041089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.066 -1.041 -0.304 0.00 0.00 -0.322 N ATOM 2 H LIG 1 0.589 -1.306 -1.134 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 9 ATOM 3 C LIG 1 -3.535 -0.751 0.080 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -4.100 -1.544 -0.854 0.00 0.00 -0.224 NA ATOM 5 C LIG 1 -3.198 -2.172 -1.635 0.00 0.00 +0.115 A ATOM 6 C LIG 1 -1.833 -2.021 -1.482 0.00 0.00 +0.192 A ATOM 7 O LIG 1 -1.164 -2.763 -2.411 0.00 0.00 -0.458 OA ATOM 8 C LIG 1 -2.115 -3.396 -3.154 0.00 0.00 +0.198 A ATOM 9 C LIG 1 -1.306 -1.199 -0.494 0.00 0.00 +0.166 A ATOM 10 C LIG 1 -3.379 -3.064 -2.716 0.00 0.00 +0.069 A ATOM 11 N LIG 1 -2.207 -0.564 0.292 0.00 0.00 -0.209 NA BRANCH 3 13 ATOM 12 C LIG 1 -5.530 0.764 0.583 0.00 0.00 -0.034 A ATOM 13 C LIG 1 -4.446 -0.052 1.005 0.00 0.00 +0.023 A ATOM 14 C LIG 1 -4.231 -0.213 2.393 0.00 0.00 +0.012 A ATOM 15 C LIG 1 -5.067 0.376 3.341 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.145 1.142 2.924 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.375 1.333 1.562 0.00 0.00 +0.004 A BRANCH 12 19 ATOM 18 C LIG 1 -5.977 2.545 -1.186 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -5.808 1.048 -0.892 0.00 0.00 +0.014 C ATOM 20 C LIG 1 -7.030 0.264 -1.376 0.00 0.00 +0.012 C ENDBRANCH 12 19 ENDBRANCH 3 13 ENDBRANCH 1 9 BRANCH 1 21 ATOM 21 C LIG 1 0.461 0.223 0.289 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 C LIG 1 1.970 0.291 0.331 0.00 0.00 -0.030 A ATOM 23 C LIG 1 2.680 1.073 -0.589 0.00 0.00 +0.006 A ATOM 24 C LIG 1 4.077 1.118 -0.549 0.00 0.00 +0.012 A ATOM 25 C LIG 1 4.792 0.370 0.395 0.00 0.00 +0.017 A ATOM 26 C LIG 1 4.081 -0.401 1.323 0.00 0.00 +0.012 A ATOM 27 C LIG 1 2.684 -0.448 1.285 0.00 0.00 +0.006 A BRANCH 25 28 ATOM 28 C LIG 1 6.255 0.441 0.406 0.00 0.00 +0.141 A ATOM 29 N LIG 1 7.115 -0.637 0.433 0.00 0.00 -0.333 N ATOM 30 C LIG 1 6.761 -2.036 0.384 0.00 0.00 +0.150 C ATOM 31 C LIG 1 8.399 -0.162 0.442 0.00 0.00 +0.119 A ATOM 32 C LIG 1 8.294 1.215 0.381 0.00 0.00 +0.162 A ATOM 33 N LIG 1 6.951 1.562 0.341 0.00 0.00 -0.224 NA BRANCH 32 34 ATOM 34 C LIG 1 9.390 2.240 0.349 0.00 0.00 +0.436 C ATOM 35 F LIG 1 9.327 3.034 -0.752 0.00 0.00 -0.164 F ATOM 36 F LIG 1 10.623 1.660 0.333 0.00 0.00 -0.164 F ATOM 37 F LIG 1 9.367 3.058 1.434 0.00 0.00 -0.164 F ENDBRANCH 32 34 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 7