REMARK Name = BDB056303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.515 0.211 0.469 0.00 0.00 +0.040 A ATOM 2 C LIG 1 0.456 0.995 -0.004 0.00 0.00 +0.060 A ATOM 3 C LIG 1 -0.671 0.379 -0.560 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -0.711 -1.022 -0.652 0.00 0.00 +0.079 A ATOM 5 C LIG 1 0.353 -1.803 -0.179 0.00 0.00 +0.017 A ATOM 6 C LIG 1 1.459 -1.186 0.402 0.00 0.00 +0.014 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 2.439 1.653 2.025 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.673 0.882 1.097 0.00 0.00 +0.247 C ATOM 9 N LIG 1 3.960 0.584 0.635 0.00 0.00 -0.297 N ATOM 10 C LIG 1 4.214 0.236 -0.766 0.00 0.00 +0.109 C ATOM 11 C LIG 1 5.510 -0.550 -0.931 0.00 0.00 +0.038 C ATOM 12 C LIG 1 6.692 0.202 -0.293 0.00 0.00 +0.060 C ATOM 13 C LIG 1 6.373 0.482 1.185 0.00 0.00 +0.038 C ATOM 14 C LIG 1 5.063 1.252 1.319 0.00 0.00 +0.109 C BRANCH 12 15 ATOM 15 N LIG 1 7.948 -0.511 -0.564 0.00 0.00 -0.299 NA ATOM 16 C LIG 1 9.156 0.271 -0.307 0.00 0.00 +0.085 C ATOM 17 C LIG 1 10.270 -0.757 -0.444 0.00 0.00 +0.017 C ATOM 18 C LIG 1 9.601 -2.108 -0.218 0.00 0.00 +0.017 C ATOM 19 C LIG 1 8.154 -1.782 0.124 0.00 0.00 +0.085 C ENDBRANCH 12 15 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 C LIG 1 -1.832 -1.718 -1.315 0.00 0.00 +0.250 C ATOM 21 N LIG 1 -3.106 -1.647 -0.748 0.00 0.00 -0.297 N ATOM 22 C LIG 1 -3.332 -1.396 0.675 0.00 0.00 +0.109 C ATOM 23 C LIG 1 -4.659 -0.686 0.921 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -5.822 -1.453 0.267 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -5.531 -1.636 -1.233 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -4.188 -2.333 -1.444 0.00 0.00 +0.109 C ATOM 27 O LIG 1 -1.574 -2.338 -2.344 0.00 0.00 -0.270 OA BRANCH 24 28 ATOM 28 N LIG 1 -7.102 -0.817 0.609 0.00 0.00 -0.299 NA ATOM 29 C LIG 1 -7.359 0.502 0.035 0.00 0.00 +0.085 C ATOM 30 C LIG 1 -8.821 0.743 0.390 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -9.428 -0.647 0.554 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -8.284 -1.615 0.292 0.00 0.00 +0.085 C ENDBRANCH 24 28 ENDBRANCH 4 20 BRANCH 3 33 ATOM 33 O LIG 1 -1.712 1.093 -1.111 0.00 0.00 -0.455 OA BRANCH 33 34 ATOM 34 C LIG 1 -2.110 2.269 -0.520 0.00 0.00 +0.128 A ATOM 35 C LIG 1 -2.424 3.321 -1.383 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -2.876 4.536 -0.867 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -3.029 4.694 0.510 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -2.737 3.636 1.371 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -2.285 2.420 0.858 0.00 0.00 +0.046 A ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6