REMARK Name = BDB021615 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.158 -1.754 -0.413 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.254 -1.285 0.536 0.00 0.00 +0.092 A ATOM 3 C LIG 1 0.862 -1.273 0.298 0.00 0.00 +0.136 A ATOM 4 O LIG 1 0.188 -0.780 1.379 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 -1.228 -0.846 1.389 0.00 0.00 +0.248 C ATOM 6 C LIG 1 -1.815 -0.041 0.246 0.00 0.00 +0.149 C ATOM 7 N LIG 1 -2.006 -0.879 -0.926 0.00 0.00 -0.292 N ATOM 8 C LIG 1 -1.053 -1.776 -1.391 0.00 0.00 +0.250 C ATOM 9 O LIG 1 -1.367 -2.624 -2.231 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 0.366 -1.731 -0.927 0.00 0.00 +0.079 A ATOM 11 C LIG 1 1.292 -2.220 -1.873 0.00 0.00 +0.020 A ATOM 12 C LIG 1 2.665 -2.232 -1.619 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 4.515 -1.811 -0.294 0.00 0.00 -0.489 OA BRANCH 13 17 ATOM 14 N LIG 1 7.724 0.395 0.774 0.00 0.00 -0.300 NA ATOM 15 C LIG 1 6.451 0.957 1.248 0.00 0.00 +0.088 C ATOM 16 C LIG 1 5.222 0.336 0.593 0.00 0.00 +0.060 C ATOM 17 C LIG 1 5.158 -1.179 0.824 0.00 0.00 +0.176 C ATOM 18 C LIG 1 6.562 -1.790 0.939 0.00 0.00 +0.060 C ATOM 19 C LIG 1 7.582 -0.946 0.181 0.00 0.00 +0.088 C BRANCH 14 20 ATOM 20 C LIG 1 8.457 1.291 -0.135 0.00 0.00 +0.115 C BRANCH 20 22 ATOM 21 C LIG 1 8.844 3.217 1.554 0.00 0.00 +0.039 C ATOM 22 C LIG 1 9.460 2.240 0.563 0.00 0.00 +0.125 C BRANCH 22 23 ATOM 23 O LIG 1 10.151 3.002 -0.437 0.00 0.00 -0.391 OA ATOM 24 H LIG 1 9.498 3.571 -0.876 0.00 0.00 +0.210 HD ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 14 20 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 7 25 ATOM 25 C LIG 1 -3.338 -0.871 -1.556 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -4.290 -1.918 -0.938 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.859 -3.260 -1.215 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -2.996 -3.212 -1.683 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -5.725 -1.769 -1.489 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -6.358 -0.462 -1.224 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -6.696 -0.313 0.208 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.511 0.928 0.516 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -8.240 1.582 -0.492 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -9.010 2.709 -0.176 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.078 3.170 1.138 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -8.372 2.514 2.143 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -8.139 1.107 -1.919 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -7.595 1.396 1.836 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -7.586 -0.320 -2.026 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 7 25 TORSDOF 10