REMARK Name = BDB032763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.231 -2.222 1.201 0.00 0.00 +0.269 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.580 -1.582 1.409 0.00 0.00 -0.010 A ATOM 3 C LIG 1 3.367 -1.226 0.303 0.00 0.00 +0.020 A ATOM 4 C LIG 1 4.586 -0.622 0.549 0.00 0.00 +0.042 A ATOM 5 C LIG 1 5.595 -0.158 -0.408 0.00 0.00 +0.248 C ATOM 6 N LIG 1 6.608 0.436 0.332 0.00 0.00 -0.282 N ATOM 7 C LIG 1 6.402 0.278 1.767 0.00 0.00 +0.144 C ATOM 8 O LIG 1 5.525 -0.283 -1.615 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.053 -0.357 1.835 0.00 0.00 -0.018 A ATOM 10 C LIG 1 4.288 -0.693 2.936 0.00 0.00 +0.006 A ATOM 11 C LIG 1 3.045 -1.302 2.716 0.00 0.00 +0.007 A BRANCH 6 12 ATOM 12 C LIG 1 7.891 0.789 -0.262 0.00 0.00 +0.163 C ATOM 13 C LIG 1 8.942 -0.320 -0.084 0.00 0.00 +0.240 C ATOM 14 O LIG 1 8.695 -1.457 0.313 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 10.234 0.041 -0.395 0.00 0.00 -0.255 N ATOM 16 H LIG 1 10.920 -0.689 -0.257 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 10.740 1.315 -0.346 0.00 0.00 +0.219 C ATOM 18 O LIG 1 11.947 1.514 -0.249 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 9.739 2.443 -0.439 0.00 0.00 +0.098 C ATOM 20 C LIG 1 8.451 2.095 0.292 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 0.288 -1.174 0.965 0.00 0.00 -0.445 OA BRANCH 21 24 ATOM 22 N LIG 1 -1.778 -0.525 0.570 0.00 0.00 -0.250 N ATOM 23 H LIG 1 -1.270 0.349 0.564 0.00 0.00 +0.158 HD ATOM 24 C LIG 1 -0.987 -1.613 0.798 0.00 0.00 +0.405 C ATOM 25 O LIG 1 -1.317 -2.787 0.850 0.00 0.00 -0.226 OA BRANCH 22 29 ATOM 26 C LIG 1 -5.903 -0.190 -0.130 0.00 0.00 +0.121 A ATOM 27 N LIG 1 -5.108 0.902 -0.104 0.00 0.00 -0.238 NA ATOM 28 C LIG 1 -3.783 0.732 0.124 0.00 0.00 +0.136 A ATOM 29 C LIG 1 -3.165 -0.492 0.347 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -3.987 -1.608 0.338 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.358 -1.454 0.104 0.00 0.00 +0.045 A BRANCH 26 36 ATOM 32 C LIG 1 -10.335 1.533 -2.738 0.00 0.00 +0.105 C ATOM 33 N LIG 1 -9.849 0.636 -1.693 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 -9.290 1.385 -0.544 0.00 0.00 +0.103 C ATOM 35 C LIG 1 -7.749 1.361 -0.423 0.00 0.00 +0.122 C ATOM 36 N LIG 1 -7.264 -0.026 -0.346 0.00 0.00 -0.313 N ATOM 37 C LIG 1 -7.986 -1.008 -1.173 0.00 0.00 +0.122 C ATOM 38 C LIG 1 -8.863 -0.317 -2.244 0.00 0.00 +0.103 C ENDBRANCH 26 36 ENDBRANCH 22 29 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 6