REMARK Name = BDB061277 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -4.847 -1.946 -3.237 0.00 0.00 -0.287 OA ATOM 2 C LIG 1 -4.036 -1.637 -2.371 0.00 0.00 +0.197 A ATOM 3 C LIG 1 -2.973 -2.563 -1.957 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -2.084 -2.157 -0.959 0.00 0.00 +0.151 A ATOM 5 C LIG 1 -1.046 -3.009 -0.535 0.00 0.00 +0.051 A ATOM 6 C LIG 1 -0.944 -4.275 -1.139 0.00 0.00 +0.128 A ATOM 7 C LIG 1 -1.831 -4.683 -2.136 0.00 0.00 +0.092 A ATOM 8 O LIG 1 -2.187 -0.926 -0.355 0.00 0.00 -0.454 OA ATOM 9 C LIG 1 -3.171 -0.045 -0.771 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -2.844 -3.824 -2.544 0.00 0.00 +0.135 A ATOM 11 C LIG 1 -4.083 -0.327 -1.711 0.00 0.00 +0.098 A ENDROOT BRANCH 9 12 ATOM 12 C LIG 1 -3.152 1.251 -0.064 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -2.884 1.294 1.313 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -2.847 2.512 1.997 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -3.069 3.696 1.306 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -3.326 3.684 -0.059 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -3.364 2.463 -0.742 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -3.023 4.861 2.011 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -3.167 5.601 1.400 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 9 12 BRANCH 6 20 ATOM 20 O LIG 1 0.037 -5.133 -0.724 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 0.070 -5.895 -1.325 0.00 0.00 +0.292 HD ENDBRANCH 6 20 BRANCH 10 22 ATOM 22 O LIG 1 -3.682 -4.283 -3.525 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 -4.348 -3.583 -3.712 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 5 24 ATOM 24 C LIG 1 -0.054 -2.575 0.528 0.00 0.00 +0.127 C BRANCH 24 25 ATOM 25 N LIG 1 1.219 -2.079 -0.022 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 1.060 -0.779 -0.712 0.00 0.00 +0.103 C ATOM 27 C LIG 1 2.363 0.049 -0.810 0.00 0.00 +0.120 C ATOM 28 N LIG 1 2.872 0.368 0.531 0.00 0.00 -0.325 N ATOM 29 C LIG 1 2.526 -0.579 1.602 0.00 0.00 +0.120 C ATOM 30 C LIG 1 2.264 -1.992 1.024 0.00 0.00 +0.103 C BRANCH 28 31 ATOM 31 C LIG 1 3.640 1.498 0.776 0.00 0.00 +0.072 A ATOM 32 C LIG 1 3.730 2.138 2.033 0.00 0.00 +0.138 A ATOM 33 C LIG 1 4.527 3.275 2.236 0.00 0.00 +0.047 A ATOM 34 C LIG 1 5.257 3.813 1.182 0.00 0.00 +0.004 A ATOM 35 C LIG 1 5.189 3.217 -0.069 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.393 2.081 -0.263 0.00 0.00 +0.027 A BRANCH 32 37 ATOM 37 O LIG 1 2.998 1.677 3.102 0.00 0.00 -0.505 OA ATOM 38 H LIG 1 3.074 2.315 3.827 0.00 0.00 +0.292 HD ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8