REMARK Name = BDB034863 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.250 -0.384 -2.158 0.00 0.00 -0.155 NA ATOM 2 C LIG 1 -0.721 -0.757 -1.391 0.00 0.00 +0.153 C ATOM 3 N LIG 1 -1.273 -0.166 -0.266 0.00 0.00 -0.282 N ATOM 4 C LIG 1 -1.385 -0.894 1.003 0.00 0.00 +0.113 C ATOM 5 C LIG 1 -1.301 -2.406 0.836 0.00 0.00 +0.030 C ATOM 6 C LIG 1 -2.151 -2.864 -0.332 0.00 0.00 +0.078 C ATOM 7 S LIG 1 -1.423 -2.311 -1.889 0.00 0.00 -0.092 S ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -1.758 1.169 -0.263 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -1.796 1.956 0.902 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -2.286 3.267 0.885 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.750 3.823 -0.302 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -2.721 3.070 -1.469 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.232 1.760 -1.448 0.00 0.00 +0.023 A ENDBRANCH 3 8 BRANCH 1 15 ATOM 14 O LIG 1 0.764 1.829 -2.425 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 0.910 0.767 -1.830 0.00 0.00 +0.271 C BRANCH 15 16 ATOM 16 C LIG 1 1.853 0.621 -0.716 0.00 0.00 +0.065 A ATOM 17 C LIG 1 2.473 -0.555 -0.175 0.00 0.00 +0.031 A ATOM 18 C LIG 1 3.245 -0.147 0.909 0.00 0.00 +0.139 A ATOM 19 N LIG 1 3.985 -0.915 1.729 0.00 0.00 -0.237 NA ATOM 20 C LIG 1 3.954 -2.225 1.397 0.00 0.00 +0.113 A ATOM 21 C LIG 1 3.246 -2.773 0.336 0.00 0.00 +0.020 A ATOM 22 N LIG 1 3.147 1.210 1.015 0.00 0.00 -0.345 N ATOM 23 H LIG 1 3.635 1.753 1.712 0.00 0.00 +0.167 HD ATOM 24 C LIG 1 2.486 -1.931 -0.476 0.00 0.00 +0.014 A ATOM 25 C LIG 1 2.319 1.691 0.039 0.00 0.00 +0.098 A ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3