REMARK Name = BDB038776 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.305 0.894 0.165 0.00 0.00 +0.162 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.001 0.128 -0.146 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -1.101 0.917 -0.364 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -1.054 1.925 -0.238 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.045 -1.101 -0.225 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.414 0.359 -0.682 0.00 0.00 +0.163 C BRANCH 6 7 ATOM 7 C LIG 1 -3.222 1.496 -1.333 0.00 0.00 +0.231 C ATOM 8 O LIG 1 -2.921 2.683 -1.210 0.00 0.00 -0.274 OA ATOM 9 N LIG 1 -4.311 1.132 -2.067 0.00 0.00 -0.328 N ATOM 10 H LIG 1 -4.894 1.872 -2.436 0.00 0.00 +0.145 HD ATOM 11 H LIG 1 -4.703 0.198 -2.028 0.00 0.00 +0.145 HD ENDBRANCH 6 7 BRANCH 6 12 ATOM 12 C LIG 1 -3.114 -0.170 0.581 0.00 0.00 +0.067 C BRANCH 12 13 ATOM 13 C LIG 1 -4.302 -1.057 0.289 0.00 0.00 -0.045 A ATOM 14 C LIG 1 -4.114 -2.326 -0.276 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -5.210 -3.137 -0.572 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -6.502 -2.690 -0.300 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -6.699 -1.435 0.272 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.604 -0.622 0.569 0.00 0.00 +0.004 A ENDBRANCH 12 13 ENDBRANCH 6 12 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 2.161 -0.027 0.910 0.00 0.00 -0.302 N ATOM 20 H LIG 1 2.390 -0.892 0.433 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 2.090 -0.106 2.284 0.00 0.00 +0.231 C ATOM 22 O LIG 1 1.521 0.736 2.974 0.00 0.00 -0.274 OA BRANCH 21 23 ATOM 23 C LIG 1 2.816 -1.317 2.905 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 N LIG 1 2.532 -2.562 2.148 0.00 0.00 -0.320 NA ATOM 25 H LIG 1 1.552 -2.571 1.858 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 3.100 -2.606 1.300 0.00 0.00 +0.119 HD ENDBRANCH 23 24 BRANCH 23 27 ATOM 27 C LIG 1 4.312 -1.031 3.091 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 5.048 -0.714 1.842 0.00 0.00 +0.176 A ATOM 29 N LIG 1 5.871 0.336 1.710 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 6.240 0.178 0.428 0.00 0.00 -0.176 N ATOM 31 H LIG 1 6.885 0.813 -0.034 0.00 0.00 +0.214 HD ATOM 32 N LIG 1 5.703 -0.872 -0.210 0.00 0.00 -0.049 NA ATOM 33 N LIG 1 4.941 -1.464 0.698 0.00 0.00 -0.113 NA ENDBRANCH 27 28 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 19 BRANCH 1 34 ATOM 34 C LIG 1 2.034 1.423 -1.096 0.00 0.00 +0.015 C ATOM 35 C LIG 1 2.251 0.335 -2.157 0.00 0.00 +0.010 C BRANCH 34 37 ATOM 36 C LIG 1 2.145 3.400 -2.724 0.00 0.00 +0.004 C ATOM 37 C LIG 1 1.313 2.652 -1.690 0.00 0.00 +0.002 C ENDBRANCH 34 37 ENDBRANCH 1 34 TORSDOF 12