REMARK Name = BDB034488 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.999 0.035 1.379 0.00 0.00 +0.248 C ATOM 2 N LIG 1 1.676 0.589 0.282 0.00 0.00 -0.282 N ATOM 3 O LIG 1 1.549 -0.562 2.299 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 12 ATOM 4 C LIG 1 -6.742 -1.851 -1.830 0.00 0.00 +0.068 C ATOM 5 C LIG 1 -5.342 -1.580 -1.436 0.00 0.00 +0.067 A ATOM 6 C LIG 1 -4.846 -0.896 -0.341 0.00 0.00 +0.109 A ATOM 7 C LIG 1 -5.442 -0.208 0.771 0.00 0.00 +0.143 A ATOM 8 N LIG 1 -4.677 0.330 1.683 0.00 0.00 -0.229 NA ATOM 9 C LIG 1 -3.273 0.231 1.575 0.00 0.00 +0.090 A ATOM 10 C LIG 1 -2.629 -0.418 0.505 0.00 0.00 +0.074 A ATOM 11 C LIG 1 -1.237 -0.493 0.416 0.00 0.00 +0.041 A ATOM 12 C LIG 1 -0.476 0.111 1.422 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.091 0.740 2.509 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.486 0.804 2.576 0.00 0.00 +0.030 A ATOM 15 N LIG 1 -3.480 -0.984 -0.453 0.00 0.00 -0.294 N ATOM 16 C LIG 1 -3.205 -1.678 -1.597 0.00 0.00 +0.205 A ATOM 17 N LIG 1 -4.306 -2.045 -2.218 0.00 0.00 -0.240 NA BRANCH 7 18 ATOM 18 N LIG 1 -6.789 -0.055 0.936 0.00 0.00 -0.341 N ATOM 19 H LIG 1 -7.316 0.088 0.085 0.00 0.00 +0.144 HD ATOM 20 H LIG 1 -6.991 0.644 1.643 0.00 0.00 +0.144 HD ENDBRANCH 7 18 ENDBRANCH 1 12 BRANCH 2 21 ATOM 21 C LIG 1 1.118 1.762 -0.444 0.00 0.00 +0.141 C ATOM 22 C LIG 1 1.469 1.753 -1.936 0.00 0.00 +0.036 C BRANCH 21 23 ATOM 23 C LIG 1 1.472 3.088 0.229 0.00 0.00 +0.149 A ATOM 24 N LIG 1 2.695 3.616 0.008 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 2.989 4.752 0.668 0.00 0.00 +0.114 A ATOM 26 C LIG 1 2.122 5.374 1.533 0.00 0.00 +0.039 A ATOM 27 C LIG 1 0.903 4.760 1.694 0.00 0.00 +0.114 A ATOM 28 N LIG 1 0.554 3.624 1.061 0.00 0.00 -0.238 NA ENDBRANCH 21 23 ENDBRANCH 2 21 BRANCH 2 29 ATOM 29 C LIG 1 3.143 0.459 0.325 0.00 0.00 +0.164 C BRANCH 29 30 ATOM 30 C LIG 1 3.672 -0.935 0.027 0.00 0.00 +0.059 A ATOM 31 N LIG 1 4.873 -1.258 0.574 0.00 0.00 -0.258 NA ATOM 32 C LIG 1 5.382 -2.483 0.309 0.00 0.00 +0.123 A ATOM 33 C LIG 1 4.766 -3.419 -0.506 0.00 0.00 +0.073 A ATOM 34 C LIG 1 3.554 -3.057 -1.097 0.00 0.00 +0.016 A ATOM 35 C LIG 1 3.003 -1.804 -0.833 0.00 0.00 +0.025 A BRANCH 33 36 ATOM 36 C LIG 1 5.420 -4.739 -0.759 0.00 0.00 +0.419 C ATOM 37 F LIG 1 6.340 -4.677 -1.762 0.00 0.00 -0.166 F ATOM 38 F LIG 1 6.084 -5.227 0.325 0.00 0.00 -0.166 F ATOM 39 F LIG 1 4.540 -5.714 -1.125 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 7