REMARK Name = BDB064917 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.985 -1.402 -2.530 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.215 -2.393 -1.404 0.00 0.00 +0.045 A ATOM 3 C LIG 1 1.569 -1.952 -0.111 0.00 0.00 +0.140 A ATOM 4 O LIG 1 1.744 -0.601 0.027 0.00 0.00 -0.455 OA ATOM 5 C LIG 1 2.186 -0.074 1.210 0.00 0.00 +0.140 A ATOM 6 C LIG 1 2.435 1.318 1.203 0.00 0.00 +0.047 A ATOM 7 C LIG 1 2.930 1.940 2.362 0.00 0.00 +0.127 A ATOM 8 C LIG 1 3.124 1.179 3.513 0.00 0.00 +0.046 A ATOM 9 C LIG 1 2.847 -0.192 3.510 0.00 0.00 +0.012 A ATOM 10 C LIG 1 2.390 -0.847 2.354 0.00 0.00 +0.005 A ATOM 11 C LIG 1 2.120 -2.352 2.337 0.00 0.00 +0.022 C ATOM 12 C LIG 1 0.970 -2.656 3.322 0.00 0.00 +0.021 C ATOM 13 C LIG 1 3.399 -3.095 2.791 0.00 0.00 +0.021 C ATOM 14 C LIG 1 1.724 -2.850 0.949 0.00 0.00 +0.005 A ATOM 15 C LIG 1 1.507 -4.217 0.694 0.00 0.00 +0.012 A ATOM 16 C LIG 1 1.159 -4.671 -0.579 0.00 0.00 +0.046 A ATOM 17 C LIG 1 0.997 -3.761 -1.620 0.00 0.00 +0.127 A BRANCH 7 18 ATOM 18 O LIG 1 3.192 3.285 2.262 0.00 0.00 -0.495 OA ATOM 19 C LIG 1 3.881 3.885 3.355 0.00 0.00 +0.277 C ENDBRANCH 7 18 BRANCH 17 20 ATOM 20 O LIG 1 0.683 -4.161 -2.892 0.00 0.00 -0.495 OA ATOM 21 C LIG 1 -0.420 -5.063 -2.949 0.00 0.00 +0.277 C ENDBRANCH 17 20 BRANCH 6 22 ATOM 22 C LIG 1 2.211 2.123 -0.059 0.00 0.00 +0.163 C BRANCH 22 23 ATOM 23 C LIG 1 3.479 2.358 -0.844 0.00 0.00 +0.309 C ATOM 24 O LIG 1 3.795 1.737 -1.850 0.00 0.00 -0.251 OA BRANCH 23 25 ATOM 25 O LIG 1 4.250 3.354 -0.336 0.00 0.00 -0.480 OA ATOM 26 H LIG 1 3.895 3.668 0.525 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 6 22 ENDBRANCH 1 2 BRANCH 1 29 ATOM 27 C LIG 1 -1.790 1.000 -2.120 0.00 0.00 +0.201 C ATOM 28 N LIG 1 -0.672 0.374 -2.824 0.00 0.00 -0.267 N ATOM 29 C LIG 1 -0.482 -1.001 -2.632 0.00 0.00 +0.222 C ATOM 30 O LIG 1 -1.404 -1.814 -2.603 0.00 0.00 -0.275 OA ATOM 31 C LIG 1 -0.859 0.745 -4.231 0.00 0.00 +0.161 C ATOM 32 C LIG 1 -0.321 -0.167 -5.320 0.00 0.00 +0.038 C ATOM 33 C LIG 1 -2.383 0.917 -4.322 0.00 0.00 +0.238 C ATOM 34 O LIG 1 -3.006 1.138 -5.350 0.00 0.00 -0.274 OA ATOM 35 N LIG 1 -2.905 0.911 -3.024 0.00 0.00 -0.277 N BRANCH 27 37 ATOM 36 C LIG 1 -1.547 1.376 0.391 0.00 0.00 +0.169 A ATOM 37 C LIG 1 -2.030 0.589 -0.677 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -2.748 -0.579 -0.357 0.00 0.00 +0.043 A ATOM 39 C LIG 1 -2.887 -0.985 0.976 0.00 0.00 +0.130 A ATOM 40 C LIG 1 -2.340 -0.235 2.024 0.00 0.00 +0.082 A ATOM 41 C LIG 1 -1.681 0.960 1.736 0.00 0.00 +0.164 A BRANCH 39 42 ATOM 42 N LIG 1 -3.618 -2.218 1.280 0.00 0.00 +0.057 N ATOM 43 O LIG 1 -4.420 -2.638 0.431 0.00 0.00 -0.126 OA ATOM 44 O LIG 1 -3.416 -2.751 2.383 0.00 0.00 -0.126 OA ENDBRANCH 39 42 BRANCH 41 45 ATOM 45 O LIG 1 -1.150 1.783 2.693 0.00 0.00 -0.491 OA ATOM 46 C LIG 1 -0.859 1.203 3.958 0.00 0.00 +0.277 C ENDBRANCH 41 45 BRANCH 36 47 ATOM 47 O LIG 1 -0.894 2.537 0.049 0.00 0.00 -0.488 OA BRANCH 47 49 ATOM 48 C LIG 1 -1.312 4.845 -0.349 0.00 0.00 +0.048 C ATOM 49 C LIG 1 -1.454 3.710 0.649 0.00 0.00 +0.226 C ENDBRANCH 47 49 ENDBRANCH 36 47 ENDBRANCH 27 37 BRANCH 35 50 ATOM 50 C LIG 1 -4.188 1.539 -2.744 0.00 0.00 +0.106 C ATOM 51 C LIG 1 -5.352 0.706 -3.252 0.00 0.00 +0.024 C ENDBRANCH 35 50 ENDBRANCH 1 29 TORSDOF 13