REMARK Name = BDB064610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.176 -1.175 0.276 0.00 0.00 +0.234 C ATOM 2 N LIG 1 1.135 -2.150 0.156 0.00 0.00 -0.302 N ATOM 3 H LIG 1 1.502 -2.412 -0.756 0.00 0.00 +0.150 HD ATOM 4 O LIG 1 -0.276 -0.827 1.366 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 -2.678 -0.329 -0.926 0.00 0.00 +0.237 C ATOM 6 N LIG 1 -1.442 0.271 -0.896 0.00 0.00 -0.286 N ATOM 7 C LIG 1 -0.223 -0.514 -1.061 0.00 0.00 +0.164 C ATOM 8 C LIG 1 0.824 0.508 -1.493 0.00 0.00 +0.065 C ATOM 9 C LIG 1 0.380 1.778 -0.768 0.00 0.00 +0.134 C ATOM 10 C LIG 1 -1.147 1.694 -0.840 0.00 0.00 +0.140 C ATOM 11 O LIG 1 -2.801 -1.541 -1.140 0.00 0.00 -0.274 OA BRANCH 9 12 ATOM 12 O LIG 1 0.901 2.921 -1.423 0.00 0.00 -0.390 OA ATOM 13 H LIG 1 0.598 3.708 -0.938 0.00 0.00 +0.210 HD ENDBRANCH 9 12 BRANCH 5 14 ATOM 14 C LIG 1 -3.917 0.545 -0.615 0.00 0.00 +0.162 C BRANCH 14 15 ATOM 15 C LIG 1 -4.101 0.702 0.919 0.00 0.00 +0.018 C ATOM 16 C LIG 1 -5.020 1.886 1.274 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -6.508 1.562 1.196 0.00 0.00 +0.000 C ATOM 18 C LIG 1 -6.857 0.344 2.041 0.00 0.00 +0.000 C ATOM 19 C LIG 1 -6.026 -0.871 1.649 0.00 0.00 +0.000 C ATOM 20 C LIG 1 -4.527 -0.577 1.670 0.00 0.00 +0.006 C ENDBRANCH 14 15 BRANCH 14 23 ATOM 21 C LIG 1 -6.527 -0.474 -3.162 0.00 0.00 +0.109 C ATOM 22 C LIG 1 -5.516 0.412 -2.485 0.00 0.00 +0.211 C ATOM 23 N LIG 1 -5.051 -0.079 -1.288 0.00 0.00 -0.304 N ATOM 24 H LIG 1 -5.092 -1.087 -1.175 0.00 0.00 +0.149 HD ATOM 25 O LIG 1 -5.178 1.493 -2.958 0.00 0.00 -0.276 OA ENDBRANCH 14 23 ENDBRANCH 5 14 ENDBRANCH 1 7 BRANCH 2 26 ATOM 26 C LIG 1 1.647 -2.898 1.298 0.00 0.00 +0.163 C BRANCH 26 27 ATOM 27 C LIG 1 2.350 -4.159 0.766 0.00 0.00 +0.231 C ATOM 28 O LIG 1 2.613 -4.334 -0.422 0.00 0.00 -0.274 OA ATOM 29 N LIG 1 2.687 -5.104 1.693 0.00 0.00 -0.328 N ATOM 30 H LIG 1 2.237 -5.141 2.598 0.00 0.00 +0.145 HD ATOM 31 H LIG 1 3.051 -5.975 1.324 0.00 0.00 +0.145 HD ENDBRANCH 26 27 BRANCH 26 32 ATOM 32 C LIG 1 2.557 -2.075 2.230 0.00 0.00 +0.067 C BRANCH 32 33 ATOM 33 C LIG 1 3.620 -1.254 1.533 0.00 0.00 -0.045 A ATOM 34 C LIG 1 3.465 0.132 1.408 0.00 0.00 +0.004 A ATOM 35 C LIG 1 4.426 0.900 0.745 0.00 0.00 +0.009 A ATOM 36 C LIG 1 5.571 0.307 0.192 0.00 0.00 -0.018 A ATOM 37 C LIG 1 5.723 -1.081 0.330 0.00 0.00 +0.009 A ATOM 38 C LIG 1 4.763 -1.853 0.994 0.00 0.00 +0.004 A BRANCH 36 39 ATOM 39 C LIG 1 6.579 1.115 -0.512 0.00 0.00 -0.018 A ATOM 40 C LIG 1 6.968 0.803 -1.825 0.00 0.00 +0.008 A ATOM 41 C LIG 1 7.923 1.572 -2.496 0.00 0.00 +0.001 A ATOM 42 C LIG 1 8.506 2.667 -1.863 0.00 0.00 +0.000 A ATOM 43 C LIG 1 8.135 2.994 -0.561 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.179 2.224 0.108 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 26 32 ENDBRANCH 2 26 TORSDOF 10