REMARK Name = BDB034947 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.701 -1.330 -1.456 0.00 0.00 +0.264 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 2.131 0.186 -0.091 0.00 0.00 -0.033 A ATOM 3 C LIG 1 0.965 0.942 0.082 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.273 0.460 -0.352 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -0.376 -0.801 -0.953 0.00 0.00 -0.010 A ATOM 6 C LIG 1 0.789 -1.558 -1.130 0.00 0.00 +0.007 A ATOM 7 C LIG 1 2.026 -1.074 -0.696 0.00 0.00 +0.005 A BRANCH 2 8 ATOM 8 C LIG 1 3.476 0.706 0.377 0.00 0.00 +0.120 C BRANCH 8 10 ATOM 9 C LIG 1 4.710 0.807 -1.795 0.00 0.00 +0.083 C ATOM 10 N LIG 1 4.244 1.512 -0.580 0.00 0.00 -0.291 NA ATOM 11 C LIG 1 3.658 2.825 -0.891 0.00 0.00 +0.113 C ATOM 12 C LIG 1 3.119 2.922 -2.325 0.00 0.00 +0.175 C ATOM 13 O LIG 1 4.124 2.687 -3.321 0.00 0.00 -0.377 OA ATOM 14 C LIG 1 5.181 1.829 -2.862 0.00 0.00 +0.178 C BRANCH 9 15 ATOM 15 C LIG 1 5.813 -0.230 -1.494 0.00 0.00 +0.021 C BRANCH 15 16 ATOM 16 C LIG 1 7.026 0.323 -0.737 0.00 0.00 +0.004 C BRANCH 16 17 ATOM 17 C LIG 1 8.136 -0.715 -0.531 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 7.719 -1.958 0.256 0.00 0.00 +0.159 C BRANCH 18 20 ATOM 19 C LIG 1 7.864 -1.169 2.494 0.00 0.00 +0.193 C ATOM 20 O LIG 1 7.018 -1.650 1.459 0.00 0.00 -0.383 OA ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 9 15 ENDBRANCH 8 10 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 O LIG 1 -2.825 -0.855 -0.708 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 -3.199 -1.551 0.404 0.00 0.00 +0.126 A ATOM 23 C LIG 1 -4.442 -1.235 0.924 0.00 0.00 +0.024 A ATOM 24 C LIG 1 -5.454 -0.258 0.429 0.00 0.00 +0.148 C ATOM 25 N LIG 1 -6.503 -0.343 1.440 0.00 0.00 -0.281 N ATOM 26 C LIG 1 -6.254 -1.347 2.364 0.00 0.00 +0.248 C ATOM 27 O LIG 1 -6.976 -1.733 3.263 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 -4.922 -1.881 2.062 0.00 0.00 +0.045 A ATOM 29 C LIG 1 -4.203 -2.852 2.730 0.00 0.00 +0.013 A ATOM 30 C LIG 1 -2.944 -3.168 2.224 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -2.444 -2.522 1.074 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 -7.827 0.243 1.274 0.00 0.00 +0.163 C ATOM 33 C LIG 1 -8.640 -0.457 0.171 0.00 0.00 +0.240 C ATOM 34 O LIG 1 -8.329 -1.523 -0.354 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 -9.783 0.202 -0.223 0.00 0.00 -0.255 N ATOM 36 H LIG 1 -10.303 -0.256 -0.959 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 -10.015 1.549 -0.109 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -10.870 2.104 -0.792 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -9.184 2.295 0.909 0.00 0.00 +0.098 C ATOM 40 C LIG 1 -7.769 1.738 0.976 0.00 0.00 +0.041 C ENDBRANCH 25 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 11