REMARK Name = BDB045559 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.887 2.481 -1.164 0.00 0.00 +0.123 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -1.711 1.116 -0.685 0.00 0.00 -0.310 N ATOM 3 H LIG 1 -1.720 0.359 -1.354 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -1.422 0.831 0.634 0.00 0.00 +0.246 C ATOM 5 O LIG 1 -1.167 1.712 1.453 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 -1.298 -0.610 1.006 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -2.008 -1.671 0.403 0.00 0.00 +0.050 A ATOM 8 C LIG 1 -1.661 -2.991 0.752 0.00 0.00 +0.024 A ATOM 9 C LIG 1 -0.672 -3.256 1.703 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -0.009 -2.207 2.324 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -0.316 -0.893 1.975 0.00 0.00 +0.015 A BRANCH 7 12 ATOM 12 N LIG 1 -3.114 -1.492 -0.483 0.00 0.00 -0.254 N ATOM 13 C LIG 1 -4.161 -0.621 -0.175 0.00 0.00 +0.313 C ATOM 14 O LIG 1 -4.260 0.046 0.849 0.00 0.00 -0.252 OA ATOM 15 N LIG 1 -5.179 -0.604 -1.097 0.00 0.00 -0.240 N ATOM 16 H LIG 1 -5.934 0.028 -0.862 0.00 0.00 +0.159 HD ATOM 17 C LIG 1 -5.581 -1.711 -1.794 0.00 0.00 +0.222 C ATOM 18 O LIG 1 -6.723 -1.814 -2.232 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -4.578 -2.828 -1.902 0.00 0.00 +0.115 C ATOM 20 C LIG 1 -3.188 -2.258 -1.721 0.00 0.00 +0.124 C ENDBRANCH 7 12 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 C LIG 1 -0.561 3.189 -1.465 0.00 0.00 +0.123 C BRANCH 21 23 ATOM 22 C LIG 1 1.603 3.646 -0.389 0.00 0.00 +0.214 C ATOM 23 N LIG 1 0.277 3.316 -0.290 0.00 0.00 -0.314 N ATOM 24 H LIG 1 -0.079 2.902 0.574 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 2.126 4.039 -1.428 0.00 0.00 -0.276 OA BRANCH 22 26 ATOM 26 C LIG 1 2.385 3.451 0.893 0.00 0.00 +0.104 C BRANCH 26 30 ATOM 27 C LIG 1 2.453 -0.853 -0.605 0.00 0.00 +0.120 A ATOM 28 C LIG 1 2.616 0.540 -0.590 0.00 0.00 +0.050 A ATOM 29 C LIG 1 3.339 1.136 0.436 0.00 0.00 -0.029 A ATOM 30 C LIG 1 3.638 2.601 0.646 0.00 0.00 +0.036 C ATOM 31 C LIG 1 4.566 2.609 1.888 0.00 0.00 +0.088 C ATOM 32 C LIG 1 4.628 1.176 2.351 0.00 0.00 +0.164 C ATOM 33 O LIG 1 5.204 0.758 3.341 0.00 0.00 -0.292 OA ATOM 34 C LIG 1 3.900 0.332 1.418 0.00 0.00 +0.021 A ATOM 35 C LIG 1 3.765 -1.044 1.435 0.00 0.00 +0.015 A ATOM 36 C LIG 1 3.029 -1.640 0.408 0.00 0.00 +0.046 A BRANCH 27 38 ATOM 37 C LIG 1 1.653 -2.736 -1.815 0.00 0.00 +0.277 C ATOM 38 O LIG 1 1.704 -1.325 -1.651 0.00 0.00 -0.495 OA ENDBRANCH 27 38 ENDBRANCH 26 30 ENDBRANCH 22 26 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 8