REMARK Name = BDB059863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.939 -0.037 1.691 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.871 0.765 1.262 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.398 0.216 0.997 0.00 0.00 -0.027 A ATOM 4 C LIG 1 -1.511 1.136 0.544 0.00 0.00 +0.143 C ATOM 5 N LIG 1 -2.748 0.454 0.186 0.00 0.00 -0.293 N ATOM 6 C LIG 1 -3.071 -0.741 0.967 0.00 0.00 +0.113 C ATOM 7 C LIG 1 -1.948 -1.771 0.875 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -3.679 1.188 -0.545 0.00 0.00 +0.247 C ATOM 9 O LIG 1 -3.468 2.316 -0.985 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.605 -1.160 1.178 0.00 0.00 -0.041 A ATOM 11 C LIG 1 0.459 -1.972 1.583 0.00 0.00 +0.004 A ATOM 12 C LIG 1 1.713 -1.416 1.838 0.00 0.00 +0.004 A ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -4.999 0.570 -0.822 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -5.114 -0.368 -1.875 0.00 0.00 -0.035 A ATOM 15 C LIG 1 -3.919 -0.724 -2.724 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -6.355 -1.000 -2.076 0.00 0.00 -0.047 A ATOM 17 C LIG 1 -6.556 -2.039 -3.147 0.00 0.00 +0.044 C ATOM 18 C LIG 1 -7.452 -0.635 -1.277 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -7.347 0.330 -0.260 0.00 0.00 -0.047 A ATOM 20 C LIG 1 -8.579 0.670 0.536 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -6.104 0.944 -0.020 0.00 0.00 -0.035 A ATOM 22 C LIG 1 -5.923 1.984 1.059 0.00 0.00 +0.045 C ENDBRANCH 8 13 BRANCH 1 23 ATOM 23 C LIG 1 3.342 0.507 1.979 0.00 0.00 +0.060 C BRANCH 23 28 ATOM 24 N LIG 1 7.137 -0.859 -1.976 0.00 0.00 -0.244 N ATOM 25 C LIG 1 6.074 -0.425 -1.230 0.00 0.00 +0.089 A ATOM 26 C LIG 1 6.434 -0.777 0.065 0.00 0.00 +0.116 A ATOM 27 C LIG 1 5.579 -0.494 1.153 0.00 0.00 -0.017 A ATOM 28 C LIG 1 4.341 0.150 0.864 0.00 0.00 -0.034 A ATOM 29 C LIG 1 4.027 0.500 -0.469 0.00 0.00 +0.007 A ATOM 30 C LIG 1 5.974 -0.870 2.554 0.00 0.00 +0.046 C ATOM 31 N LIG 1 7.665 -1.387 0.042 0.00 0.00 -0.129 NA ATOM 32 C LIG 1 4.880 0.221 -1.540 0.00 0.00 +0.030 A ATOM 33 N LIG 1 8.087 -1.431 -1.214 0.00 0.00 -0.065 NA BRANCH 24 35 ATOM 34 C LIG 1 8.014 0.516 -3.818 0.00 0.00 +0.029 C ATOM 35 C LIG 1 7.321 -0.770 -3.408 0.00 0.00 +0.142 C ENDBRANCH 24 35 ENDBRANCH 23 28 BRANCH 23 36 ATOM 36 C LIG 1 3.449 2.011 2.280 0.00 0.00 +0.133 C BRANCH 36 37 ATOM 37 C LIG 1 2.694 2.390 3.520 0.00 0.00 +0.306 C ATOM 38 O LIG 1 1.735 3.142 3.573 0.00 0.00 -0.251 OA BRANCH 37 39 ATOM 39 O LIG 1 3.199 1.839 4.639 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 2.619 2.179 5.354 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 23 36 ENDBRANCH 1 23 TORSDOF 7