REMARK Name = BDB059870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.646 -2.095 -0.166 0.00 0.00 -0.039 A ATOM 2 C LIG 1 0.450 -1.522 0.502 0.00 0.00 +0.009 A ATOM 3 C LIG 1 1.768 -1.710 0.057 0.00 0.00 -0.026 A ATOM 4 C LIG 1 2.895 -1.053 0.834 0.00 0.00 +0.143 C ATOM 5 N LIG 1 4.156 -1.066 0.098 0.00 0.00 -0.293 N ATOM 6 C LIG 1 4.473 -2.358 -0.491 0.00 0.00 +0.113 C ATOM 7 C LIG 1 3.439 -2.717 -1.558 0.00 0.00 +0.054 C ATOM 8 C LIG 1 4.717 0.070 -0.482 0.00 0.00 +0.247 C ATOM 9 O LIG 1 5.462 0.037 -1.459 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.015 -2.529 -1.066 0.00 0.00 -0.038 A ATOM 11 C LIG 1 0.929 -3.111 -1.750 0.00 0.00 -0.047 A ATOM 12 C LIG 1 1.138 -3.979 -2.963 0.00 0.00 +0.044 C ATOM 13 C LIG 1 -0.382 -2.898 -1.284 0.00 0.00 +0.008 A ENDROOT BRANCH 8 14 ATOM 14 C LIG 1 4.431 1.391 0.120 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.952 2.419 -0.698 0.00 0.00 +0.013 A ATOM 16 C LIG 1 3.687 3.672 -0.147 0.00 0.00 +0.001 A ATOM 17 C LIG 1 3.916 3.900 1.212 0.00 0.00 +0.000 A ATOM 18 C LIG 1 4.415 2.880 2.023 0.00 0.00 +0.001 A ATOM 19 C LIG 1 4.680 1.623 1.478 0.00 0.00 +0.013 A ENDBRANCH 8 14 BRANCH 1 20 ATOM 20 C LIG 1 -2.054 -1.831 0.375 0.00 0.00 +0.060 C BRANCH 20 25 ATOM 21 N LIG 1 -3.350 3.657 0.859 0.00 0.00 -0.244 N ATOM 22 C LIG 1 -3.105 2.315 0.991 0.00 0.00 +0.089 A ATOM 23 C LIG 1 -2.662 1.950 -0.273 0.00 0.00 +0.116 A ATOM 24 C LIG 1 -2.298 0.612 -0.559 0.00 0.00 -0.017 A ATOM 25 C LIG 1 -2.394 -0.329 0.508 0.00 0.00 -0.034 A ATOM 26 C LIG 1 -2.859 0.095 1.777 0.00 0.00 +0.007 A ATOM 27 C LIG 1 -1.793 0.260 -1.929 0.00 0.00 +0.046 C ATOM 28 N LIG 1 -2.662 3.056 -1.089 0.00 0.00 -0.129 NA ATOM 29 C LIG 1 -3.223 1.416 2.047 0.00 0.00 +0.030 A ATOM 30 N LIG 1 -3.088 4.095 -0.384 0.00 0.00 -0.065 NA BRANCH 21 32 ATOM 31 C LIG 1 -5.346 4.679 1.871 0.00 0.00 +0.029 C ATOM 32 C LIG 1 -3.831 4.582 1.860 0.00 0.00 +0.142 C ENDBRANCH 21 32 ENDBRANCH 20 25 BRANCH 20 33 ATOM 33 C LIG 1 -3.236 -2.541 -0.317 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 C LIG 1 -3.286 -4.017 -0.003 0.00 0.00 +0.306 C ATOM 35 O LIG 1 -2.738 -4.560 0.942 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -4.064 -4.705 -0.872 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -4.485 -4.156 -1.560 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 20 33 ENDBRANCH 1 20 TORSDOF 7