REMARK Name = BDB032149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.912 -0.618 2.160 0.00 0.00 -0.007 A ATOM 2 C LIG 1 -2.719 -1.340 1.267 0.00 0.00 +0.020 A ATOM 3 C LIG 1 -4.017 -0.904 1.070 0.00 0.00 +0.045 A ATOM 4 C LIG 1 -5.064 -1.462 0.208 0.00 0.00 +0.248 C ATOM 5 N LIG 1 -6.155 -0.603 0.283 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -5.966 0.406 1.327 0.00 0.00 +0.147 C ATOM 7 O LIG 1 -4.953 -2.493 -0.424 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -4.545 0.207 1.713 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -3.759 0.924 2.584 0.00 0.00 +0.129 A ATOM 10 F LIG 1 -4.249 1.999 3.212 0.00 0.00 -0.205 F ATOM 11 C LIG 1 -2.441 0.523 2.808 0.00 0.00 +0.045 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -7.475 -0.953 -0.258 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -8.533 0.123 0.033 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -9.021 0.291 1.150 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.806 1.013 -0.979 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -9.433 1.770 -0.741 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.140 1.150 -2.170 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -8.306 2.144 -2.872 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -7.157 0.063 -2.528 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -7.459 -1.220 -1.768 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 1 21 ATOM 21 C LIG 1 -0.479 -1.025 2.391 0.00 0.00 +0.269 C BRANCH 21 22 ATOM 22 O LIG 1 0.317 -0.373 1.399 0.00 0.00 -0.445 OA BRANCH 22 25 ATOM 23 N LIG 1 2.294 0.031 0.510 0.00 0.00 -0.250 N ATOM 24 H LIG 1 1.682 0.564 -0.093 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 1.645 -0.635 1.508 0.00 0.00 +0.405 C ATOM 26 O LIG 1 2.132 -1.351 2.369 0.00 0.00 -0.226 OA BRANCH 23 32 ATOM 27 C LIG 1 5.934 1.658 -2.348 0.00 0.00 +0.046 C ATOM 28 C LIG 1 5.488 0.852 -1.163 0.00 0.00 -0.023 A ATOM 29 C LIG 1 6.383 0.154 -0.341 0.00 0.00 +0.074 A ATOM 30 N LIG 1 5.963 -0.594 0.711 0.00 0.00 -0.253 NA ATOM 31 C LIG 1 4.635 -0.631 0.982 0.00 0.00 +0.134 A ATOM 32 C LIG 1 3.674 0.048 0.245 0.00 0.00 +0.055 A ATOM 33 C LIG 1 4.122 0.799 -0.841 0.00 0.00 +0.030 A BRANCH 29 34 ATOM 34 C LIG 1 7.842 0.146 -0.537 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.601 1.326 -0.456 0.00 0.00 +0.010 A ATOM 36 C LIG 1 9.986 1.305 -0.648 0.00 0.00 +0.001 A ATOM 37 C LIG 1 10.634 0.102 -0.915 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.902 -1.081 -0.983 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.519 -1.058 -0.790 0.00 0.00 +0.010 A ENDBRANCH 29 34 ENDBRANCH 23 32 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 6