REMARK Name = BDB008170 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.176 -0.755 -1.262 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.286 -0.642 0.712 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.141 -0.917 -0.636 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.941 -0.716 -1.224 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.328 -0.365 1.439 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.746 -0.628 1.221 0.00 0.00 +0.161 C BRANCH 6 9 ATOM 7 C LIG 1 -2.538 -1.990 4.751 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -2.824 -1.991 3.272 0.00 0.00 +0.211 C ATOM 9 N LIG 1 -2.714 -0.754 2.679 0.00 0.00 -0.304 N ATOM 10 H LIG 1 -2.119 -0.085 3.151 0.00 0.00 +0.149 HD ATOM 11 O LIG 1 -3.126 -3.015 2.668 0.00 0.00 -0.276 OA ENDBRANCH 6 9 BRANCH 6 12 ATOM 12 C LIG 1 -3.498 0.639 0.755 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -2.879 1.940 1.277 0.00 0.00 +0.009 C ATOM 14 C LIG 1 -4.979 0.572 1.152 0.00 0.00 +0.009 C ENDBRANCH 6 12 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 15 ATOM 15 C LIG 1 0.409 0.760 -1.384 0.00 0.00 +0.234 C ATOM 16 N LIG 1 1.688 1.153 -1.046 0.00 0.00 -0.300 N ATOM 17 H LIG 1 2.337 0.438 -0.685 0.00 0.00 +0.150 HD ATOM 18 O LIG 1 -0.492 1.527 -1.722 0.00 0.00 -0.274 OA BRANCH 16 19 ATOM 19 C LIG 1 2.042 2.526 -0.745 0.00 0.00 +0.111 C ATOM 20 C LIG 1 3.135 3.137 -1.620 0.00 0.00 +0.038 C ATOM 21 C LIG 1 1.726 3.627 -1.745 0.00 0.00 +0.038 C BRANCH 19 22 ATOM 22 C LIG 1 2.045 2.903 0.734 0.00 0.00 +0.234 C ATOM 23 O LIG 1 2.691 3.852 1.168 0.00 0.00 -0.274 OA ATOM 24 N LIG 1 1.299 2.113 1.563 0.00 0.00 -0.328 N ATOM 25 H LIG 1 0.823 1.272 1.250 0.00 0.00 +0.145 HD ATOM 26 H LIG 1 1.322 2.303 2.554 0.00 0.00 +0.145 HD ENDBRANCH 19 22 ENDBRANCH 16 19 ENDBRANCH 1 15 BRANCH 1 27 ATOM 27 C LIG 1 0.214 -1.483 -2.609 0.00 0.00 +0.033 C BRANCH 27 28 ATOM 28 C LIG 1 1.370 -1.186 -3.575 0.00 0.00 +0.023 C BRANCH 28 29 ATOM 29 C LIG 1 2.812 -1.252 -3.071 0.00 0.00 +0.115 C BRANCH 29 30 ATOM 30 N LIG 1 3.039 -2.318 -2.123 0.00 0.00 -0.356 N ATOM 31 H LIG 1 2.680 -3.228 -2.378 0.00 0.00 +0.162 HD BRANCH 30 32 ATOM 32 C LIG 1 3.314 -2.120 -0.817 0.00 0.00 +0.188 C ATOM 33 N LIG 1 3.370 -0.971 -0.248 0.00 0.00 -0.269 NA ATOM 34 H LIG 1 3.578 -1.104 0.747 0.00 0.00 +0.190 HD BRANCH 32 35 ATOM 35 N LIG 1 3.494 -3.281 -0.161 0.00 0.00 -0.370 N ATOM 36 H LIG 1 4.046 -3.950 -0.684 0.00 0.00 +0.159 HD ATOM 37 H LIG 1 3.864 -3.190 0.776 0.00 0.00 +0.159 HD ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 13