REMARK Name = BDB064639 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.071 -0.237 -2.929 0.00 0.00 +0.163 C ENDROOT BRANCH 1 5 ATOM 2 N LIG 1 -1.852 -1.304 -4.263 0.00 0.00 -0.328 N ATOM 3 H LIG 1 -2.434 -2.115 -4.440 0.00 0.00 +0.145 HD ATOM 4 H LIG 1 -1.500 -0.823 -5.081 0.00 0.00 +0.145 HD ATOM 5 C LIG 1 -1.093 -1.377 -3.127 0.00 0.00 +0.231 C ATOM 6 O LIG 1 -1.270 -2.294 -2.328 0.00 0.00 -0.274 OA ENDBRANCH 1 5 BRANCH 1 7 ATOM 7 N LIG 1 0.887 -0.625 -1.899 0.00 0.00 -0.302 N ATOM 8 H LIG 1 0.563 -0.584 -0.938 0.00 0.00 +0.150 HD ATOM 9 C LIG 1 1.891 -1.525 -2.173 0.00 0.00 +0.234 C ATOM 10 O LIG 1 2.166 -1.887 -3.315 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C LIG 1 2.554 -2.161 -0.935 0.00 0.00 +0.164 C ATOM 12 N LIG 1 2.420 -1.345 0.280 0.00 0.00 -0.287 N ATOM 13 C LIG 1 3.169 -0.249 0.649 0.00 0.00 +0.221 C ATOM 14 O LIG 1 3.006 0.289 1.749 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 1.512 -1.968 1.236 0.00 0.00 +0.140 C ATOM 16 C LIG 1 0.809 -3.076 0.457 0.00 0.00 +0.134 C ATOM 17 C LIG 1 1.851 -3.474 -0.585 0.00 0.00 +0.065 C BRANCH 16 18 ATOM 18 O LIG 1 0.476 -4.181 1.280 0.00 0.00 -0.390 OA ATOM 19 H LIG 1 -0.038 -4.800 0.732 0.00 0.00 +0.210 HD ENDBRANCH 16 18 BRANCH 13 20 ATOM 20 C LIG 1 4.191 0.315 -0.330 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 C LIG 1 3.671 1.569 -0.953 0.00 0.00 +0.018 A ATOM 22 S LIG 1 3.656 1.777 -2.658 0.00 0.00 -0.080 S ATOM 23 C LIG 1 2.987 3.340 -2.449 0.00 0.00 +0.156 A ATOM 24 N LIG 1 2.775 3.717 -1.208 0.00 0.00 -0.255 NA ATOM 25 C LIG 1 3.187 2.715 -0.351 0.00 0.00 +0.122 A ENDBRANCH 20 21 ENDBRANCH 13 20 ENDBRANCH 9 11 ENDBRANCH 1 7 BRANCH 1 26 ATOM 26 C LIG 1 -0.771 1.098 -2.610 0.00 0.00 +0.067 C BRANCH 26 27 ATOM 27 C LIG 1 -1.364 1.177 -1.219 0.00 0.00 -0.045 A ATOM 28 C LIG 1 -0.664 1.819 -0.192 0.00 0.00 +0.004 A ATOM 29 C LIG 1 -1.170 1.841 1.111 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -2.393 1.230 1.422 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -3.097 0.603 0.382 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -2.592 0.577 -0.922 0.00 0.00 +0.004 A BRANCH 30 33 ATOM 33 C LIG 1 -2.922 1.244 2.796 0.00 0.00 -0.018 A ATOM 34 C LIG 1 -3.289 0.051 3.442 0.00 0.00 +0.008 A ATOM 35 C LIG 1 -3.789 0.063 4.747 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -3.931 1.269 5.429 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -3.574 2.462 4.807 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -3.072 2.449 3.502 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9