REMARK Name = BDB057919 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.885 -3.377 1.888 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -1.162 -2.280 0.919 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.436 -1.055 0.786 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -1.043 -0.310 -0.228 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.577 0.967 -0.589 0.00 0.00 +0.027 A ATOM 6 C LIG 1 0.533 1.484 0.086 0.00 0.00 +0.015 A ATOM 7 C LIG 1 1.170 0.752 1.087 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -2.102 -1.063 -0.707 0.00 0.00 -0.339 N ATOM 9 C LIG 1 0.684 -0.512 1.454 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.180 -2.262 -0.023 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -3.232 -3.285 -0.297 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 2.350 1.359 1.764 0.00 0.00 +0.245 C ATOM 13 N LIG 1 3.288 0.473 2.255 0.00 0.00 -0.305 N ATOM 14 H LIG 1 3.259 -0.476 1.909 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 2.460 2.578 1.833 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 4.571 0.933 2.764 0.00 0.00 +0.100 C ATOM 17 C LIG 1 4.920 0.169 4.043 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 5.617 0.825 1.667 0.00 0.00 -0.027 A ATOM 19 C LIG 1 5.809 1.909 0.800 0.00 0.00 +0.006 A ATOM 20 C LIG 1 6.743 1.852 -0.241 0.00 0.00 +0.004 A ATOM 21 C LIG 1 7.516 0.704 -0.463 0.00 0.00 -0.042 A ATOM 22 C LIG 1 7.305 -0.387 0.401 0.00 0.00 +0.004 A ATOM 23 C LIG 1 6.370 -0.332 1.442 0.00 0.00 +0.006 A BRANCH 21 24 ATOM 24 C LIG 1 8.553 0.605 -1.595 0.00 0.00 -0.013 C ATOM 25 C LIG 1 9.949 0.323 -0.999 0.00 0.00 +0.015 C ATOM 26 C LIG 1 8.169 -0.544 -2.552 0.00 0.00 +0.015 C ATOM 27 C LIG 1 8.672 1.889 -2.448 0.00 0.00 +0.015 C ENDBRANCH 21 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 -2.977 -0.660 -1.810 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 -4.363 -0.254 -1.365 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -5.477 -0.675 -2.105 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -6.770 -0.299 -1.728 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -6.984 0.512 -0.605 0.00 0.00 -0.017 A ATOM 33 C LIG 1 -5.867 0.952 0.119 0.00 0.00 +0.009 A ATOM 34 C LIG 1 -4.573 0.580 -0.259 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -8.342 0.921 -0.215 0.00 0.00 -0.004 A ATOM 36 C LIG 1 -9.298 0.041 0.334 0.00 0.00 +0.067 A ATOM 37 C LIG 1 -10.590 0.505 0.644 0.00 0.00 +0.015 A ATOM 38 C LIG 1 -10.941 1.835 0.418 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -10.007 2.714 -0.116 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -8.723 2.262 -0.429 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 -8.965 -1.376 0.641 0.00 0.00 +0.337 C ATOM 42 O LIG 1 -7.893 -1.835 0.982 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 -10.037 -2.179 0.490 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 -9.685 -3.067 0.710 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9