REMARK Name = BDB001163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.198 -1.967 -0.391 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -1.323 -3.013 -0.634 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.111 -2.960 -0.382 0.00 0.00 +0.099 C ATOM 4 C LIG 1 0.630 -4.351 -0.768 0.00 0.00 +0.013 C ATOM 5 C LIG 1 1.924 -4.098 -1.531 0.00 0.00 +0.007 C ATOM 6 C LIG 1 1.679 -2.800 -2.280 0.00 0.00 +0.024 C ATOM 7 C LIG 1 -0.497 -4.998 -1.591 0.00 0.00 +0.024 C ATOM 8 C LIG 1 0.837 -1.953 -1.321 0.00 0.00 +0.095 C ATOM 9 C LIG 1 -1.598 -3.952 -1.700 0.00 0.00 +0.108 C ATOM 10 O LIG 1 -3.213 -1.806 -1.077 0.00 0.00 -0.274 OA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 1.636 -1.000 -0.569 0.00 0.00 -0.294 N ATOM 12 H LIG 1 2.275 -1.348 0.129 0.00 0.00 +0.151 HD ATOM 13 C LIG 1 1.954 0.229 -1.113 0.00 0.00 +0.307 C ATOM 14 N LIG 1 2.576 1.091 -0.234 0.00 0.00 -0.255 N ATOM 15 C LIG 1 2.960 2.416 -0.524 0.00 0.00 +0.041 A ATOM 16 C LIG 1 3.349 3.073 0.644 0.00 0.00 -0.024 A ATOM 17 C LIG 1 3.762 4.397 0.626 0.00 0.00 +0.005 A ATOM 18 C LIG 1 3.787 5.066 -0.599 0.00 0.00 +0.000 A ATOM 19 C LIG 1 3.397 4.410 -1.775 0.00 0.00 +0.002 A ATOM 20 C LIG 1 3.179 2.194 1.841 0.00 0.00 +0.056 C ATOM 21 C LIG 1 2.976 3.076 -1.742 0.00 0.00 +0.024 A ATOM 22 C LIG 1 2.833 0.848 1.197 0.00 0.00 +0.120 C ATOM 23 O LIG 1 1.644 0.500 -2.271 0.00 0.00 -0.252 OA ENDBRANCH 8 11 BRANCH 1 24 ATOM 24 C LIG 1 -1.896 -1.020 0.802 0.00 0.00 +0.164 C BRANCH 24 26 ATOM 25 C LIG 1 -1.335 1.390 0.549 0.00 0.00 +0.230 C ATOM 26 N LIG 1 -2.189 0.331 0.322 0.00 0.00 -0.302 N ATOM 27 H LIG 1 -2.935 0.418 -0.360 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 -0.359 1.301 1.294 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -1.694 2.681 -0.229 0.00 0.00 +0.137 C ATOM 30 C LIG 1 -1.269 2.506 -1.687 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -1.230 5.094 -0.244 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -1.065 3.831 0.452 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -0.068 3.623 0.570 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 -2.692 -1.399 2.092 0.00 0.00 -0.011 C ATOM 35 C LIG 1 -4.217 -1.307 1.888 0.00 0.00 +0.013 C ATOM 36 C LIG 1 -2.305 -0.452 3.248 0.00 0.00 +0.013 C ATOM 37 C LIG 1 -2.343 -2.835 2.534 0.00 0.00 +0.013 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 6