REMARK Name = BDB004893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.352 -1.089 -0.778 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -2.659 -1.142 -0.284 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.419 -2.319 -0.351 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -2.861 -3.440 -0.983 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.574 -3.382 -1.516 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.821 -2.212 -1.411 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 1.527 -0.598 -0.364 0.00 0.00 -0.269 N ATOM 8 H LIG 1 1.082 -1.398 0.058 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 0.671 0.432 -0.673 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -0.667 0.126 -0.631 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -1.236 0.967 -0.548 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 0.988 1.604 -0.860 0.00 0.00 -0.252 OA BRANCH 7 16 ATOM 13 C LIG 1 5.753 -0.472 0.187 0.00 0.00 +0.030 A ATOM 14 C LIG 1 4.965 -1.563 0.581 0.00 0.00 +0.025 A ATOM 15 C LIG 1 3.579 -1.594 0.375 0.00 0.00 +0.025 A ATOM 16 C LIG 1 2.931 -0.535 -0.253 0.00 0.00 +0.035 A ATOM 17 C LIG 1 3.701 0.519 -0.738 0.00 0.00 +0.025 A ATOM 18 C LIG 1 5.088 0.541 -0.522 0.00 0.00 +0.025 A BRANCH 13 23 ATOM 19 C LIG 1 9.858 1.919 2.366 0.00 0.00 +0.105 C ATOM 20 N LIG 1 9.593 0.573 1.860 0.00 0.00 -0.302 NA ATOM 21 C LIG 1 9.410 0.560 0.388 0.00 0.00 +0.103 C ATOM 22 C LIG 1 7.940 0.682 -0.073 0.00 0.00 +0.120 C ATOM 23 N LIG 1 7.118 -0.427 0.461 0.00 0.00 -0.327 N ATOM 24 C LIG 1 7.640 -1.044 1.706 0.00 0.00 +0.120 C ATOM 25 C LIG 1 8.415 -0.004 2.549 0.00 0.00 +0.103 C ENDBRANCH 13 23 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 3 26 ATOM 26 C LIG 1 -4.791 -2.384 0.281 0.00 0.00 +0.138 C BRANCH 26 27 ATOM 27 N LIG 1 -5.806 -1.723 -0.532 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -5.608 -1.784 -1.528 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -6.190 -0.416 -0.182 0.00 0.00 +0.130 A ATOM 30 C LIG 1 -7.302 0.173 -0.825 0.00 0.00 +0.041 A ATOM 31 C LIG 1 -7.651 1.474 -0.417 0.00 0.00 +0.088 A ATOM 32 C LIG 1 -8.780 2.069 -1.015 0.00 0.00 +0.063 A ATOM 33 C LIG 1 -9.538 1.396 -1.991 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -9.183 0.117 -2.392 0.00 0.00 +0.002 A ATOM 35 N LIG 1 -6.916 2.114 0.512 0.00 0.00 -0.235 NA ATOM 36 C LIG 1 -5.897 1.461 1.076 0.00 0.00 +0.223 A ATOM 37 C LIG 1 -8.075 -0.490 -1.812 0.00 0.00 +0.013 A ATOM 38 N LIG 1 -5.505 0.222 0.781 0.00 0.00 -0.220 NA BRANCH 32 39 ATOM 39 C LIG 1 -9.229 3.422 -0.585 0.00 0.00 +0.244 C ATOM 40 O LIG 1 -9.139 3.835 0.565 0.00 0.00 -0.270 OA ATOM 41 N LIG 1 -9.783 4.229 -1.551 0.00 0.00 -0.325 N ATOM 42 H LIG 1 -9.955 5.183 -1.258 0.00 0.00 +0.145 HD ATOM 43 H LIG 1 -9.636 4.063 -2.536 0.00 0.00 +0.145 HD ENDBRANCH 32 39 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 7