REMARK Name = BDB036984 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.559 0.895 -2.746 0.00 0.00 +0.040 A ATOM 2 C LIG 1 -3.289 0.248 -1.755 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -3.377 0.511 -0.315 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -4.249 -0.406 0.206 0.00 0.00 -0.222 N ATOM 5 C LIG 1 -4.668 -1.292 -0.747 0.00 0.00 +0.255 C ATOM 6 O LIG 1 -5.394 -2.260 -0.622 0.00 0.00 -0.270 OA ATOM 7 O LIG 1 -2.747 1.374 0.268 0.00 0.00 -0.269 OA ATOM 8 C LIG 1 -4.077 -0.863 -2.011 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -4.213 -1.395 -3.275 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -3.528 -0.752 -4.305 0.00 0.00 +0.003 A ATOM 11 C LIG 1 -2.725 0.382 -4.044 0.00 0.00 +0.024 A ENDROOT BRANCH 4 12 ATOM 12 C LIG 1 -4.516 -0.590 1.624 0.00 0.00 +0.171 C ATOM 13 C LIG 1 -3.301 -1.249 2.288 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -2.475 -1.930 1.683 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -3.213 -1.098 3.654 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -2.421 -1.544 4.097 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -4.001 -0.326 4.470 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -3.782 -0.250 5.676 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -5.179 0.363 3.820 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -4.892 0.692 2.363 0.00 0.00 +0.041 C ENDBRANCH 4 12 BRANCH 1 21 ATOM 21 N LIG 1 -1.828 2.054 -2.467 0.00 0.00 -0.341 N ATOM 22 H LIG 1 -1.669 2.134 -1.452 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 -0.574 2.314 -3.184 0.00 0.00 +0.129 C BRANCH 23 24 ATOM 24 C LIG 1 0.554 1.379 -2.717 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 O LIG 1 0.745 1.448 -1.299 0.00 0.00 -0.377 OA BRANCH 25 26 ATOM 26 C LIG 1 1.590 2.520 -0.867 0.00 0.00 +0.178 C BRANCH 26 27 ATOM 27 C LIG 1 3.060 2.100 -0.903 0.00 0.00 +0.135 C BRANCH 27 29 ATOM 28 C LIG 1 4.554 0.504 0.215 0.00 0.00 +0.401 C ATOM 29 N LIG 1 3.298 0.940 -0.072 0.00 0.00 -0.279 N ATOM 30 H LIG 1 2.559 0.254 0.028 0.00 0.00 +0.152 HD ATOM 31 O LIG 1 5.578 1.113 -0.047 0.00 0.00 -0.226 OA BRANCH 28 32 ATOM 32 O LIG 1 4.469 -0.706 0.811 0.00 0.00 -0.445 OA BRANCH 32 34 ATOM 33 C LIG 1 6.434 -0.629 2.295 0.00 0.00 +0.055 C ATOM 34 C LIG 1 5.665 -1.414 1.227 0.00 0.00 +0.107 C ATOM 35 C LIG 1 6.549 -1.765 0.026 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.148 -2.718 1.853 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10