REMARK Name = BDB034954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.265 -1.825 0.178 0.00 0.00 +0.266 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -2.247 -1.493 0.270 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.972 -0.971 -0.040 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -0.872 0.303 -0.626 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.007 1.081 -0.852 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -3.269 0.606 -0.491 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.373 -0.679 0.069 0.00 0.00 +0.028 A BRANCH 2 8 ATOM 8 N LIG 1 -2.328 -2.751 0.903 0.00 0.00 -0.341 N ATOM 9 H LIG 1 -2.234 -2.585 1.907 0.00 0.00 +0.146 HD BRANCH 8 10 ATOM 10 C LIG 1 -3.518 -3.582 0.667 0.00 0.00 +0.129 C BRANCH 10 11 ATOM 11 C LIG 1 -3.626 -4.060 -0.784 0.00 0.00 +0.178 C BRANCH 11 13 ATOM 12 C LIG 1 -4.879 -5.438 -2.229 0.00 0.00 +0.194 C ATOM 13 O LIG 1 -4.736 -4.957 -0.899 0.00 0.00 -0.381 OA ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 2 8 BRANCH 6 14 ATOM 14 C LIG 1 -4.507 1.445 -0.734 0.00 0.00 +0.119 C BRANCH 14 15 ATOM 15 N LIG 1 -5.363 1.577 0.455 0.00 0.00 -0.294 NA ATOM 16 C LIG 1 -6.694 2.097 0.073 0.00 0.00 +0.113 C ATOM 17 C LIG 1 -7.411 2.753 1.262 0.00 0.00 +0.175 C ATOM 18 O LIG 1 -6.723 3.914 1.745 0.00 0.00 -0.377 OA ATOM 19 C LIG 1 -5.304 3.851 1.548 0.00 0.00 +0.175 C ATOM 20 C LIG 1 -4.758 2.414 1.514 0.00 0.00 +0.113 C ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 21 ATOM 21 O LIG 1 1.460 -1.038 0.120 0.00 0.00 -0.487 OA BRANCH 21 22 ATOM 22 C LIG 1 2.644 -1.699 0.263 0.00 0.00 +0.126 A ATOM 23 C LIG 1 3.784 -0.917 0.197 0.00 0.00 +0.024 A ATOM 24 C LIG 1 3.914 0.551 -0.025 0.00 0.00 +0.148 C ATOM 25 N LIG 1 5.349 0.771 0.101 0.00 0.00 -0.281 N ATOM 26 C LIG 1 6.047 -0.423 0.207 0.00 0.00 +0.248 C ATOM 27 O LIG 1 7.249 -0.600 0.194 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 5.048 -1.490 0.323 0.00 0.00 +0.045 A ATOM 29 C LIG 1 5.239 -2.843 0.516 0.00 0.00 +0.013 A ATOM 30 C LIG 1 4.099 -3.642 0.589 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.812 -3.075 0.465 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 5.953 2.051 -0.249 0.00 0.00 +0.163 C ATOM 33 C LIG 1 6.321 2.105 -1.740 0.00 0.00 +0.240 C ATOM 34 O LIG 1 5.697 1.508 -2.617 0.00 0.00 -0.273 OA ATOM 35 N LIG 1 7.337 2.969 -2.079 0.00 0.00 -0.255 N ATOM 36 H LIG 1 7.554 3.028 -3.064 0.00 0.00 +0.158 HD ATOM 37 C LIG 1 8.015 3.837 -1.260 0.00 0.00 +0.219 C ATOM 38 O LIG 1 8.805 4.656 -1.722 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 7.670 3.792 0.210 0.00 0.00 +0.098 C ATOM 40 C LIG 1 7.159 2.418 0.615 0.00 0.00 +0.041 C ENDBRANCH 25 32 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 10