REMARK Name = BDB004560 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.899 -1.341 -0.715 0.00 0.00 +0.035 A ATOM 2 C LIG 1 -0.657 -0.957 -1.239 0.00 0.00 +0.028 A ATOM 3 C LIG 1 0.151 -1.868 -1.941 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.302 -3.180 -2.117 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -1.540 -3.566 -1.607 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -2.335 -2.651 -0.911 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -4.276 0.701 1.138 0.00 0.00 -0.266 N ATOM 8 H LIG 1 -3.874 1.534 0.729 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 -3.814 -0.524 0.691 0.00 0.00 +0.308 C ATOM 10 N LIG 1 -2.640 -0.356 -0.029 0.00 0.00 -0.269 N ATOM 11 H LIG 1 -2.208 0.553 0.044 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 -4.360 -1.598 0.905 0.00 0.00 -0.252 OA BRANCH 7 14 ATOM 13 C LIG 1 -5.740 2.326 2.141 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -5.385 0.970 1.972 0.00 0.00 +0.077 A ATOM 15 C LIG 1 -6.116 -0.021 2.630 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -7.200 0.325 3.440 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.552 1.661 3.604 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -6.823 2.662 2.959 0.00 0.00 +0.047 A BRANCH 13 20 ATOM 19 C LIG 1 -5.330 4.601 1.549 0.00 0.00 +0.277 C ATOM 20 O LIG 1 -4.957 3.231 1.459 0.00 0.00 -0.493 OA ENDBRANCH 13 20 ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 1.499 -1.435 -2.473 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.383 -1.182 -1.341 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.412 -1.991 -0.725 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.702 -0.812 -1.679 0.00 0.00 +0.130 A ATOM 25 C LIG 1 4.636 -0.562 -0.651 0.00 0.00 +0.041 A ATOM 26 C LIG 1 5.940 -0.212 -1.054 0.00 0.00 +0.088 A ATOM 27 C LIG 1 6.892 0.026 -0.040 0.00 0.00 +0.063 A ATOM 28 C LIG 1 6.552 -0.069 1.324 0.00 0.00 +0.015 A ATOM 29 C LIG 1 5.262 -0.396 1.708 0.00 0.00 +0.002 A ATOM 30 N LIG 1 6.243 -0.111 -2.368 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 5.270 -0.340 -3.257 0.00 0.00 +0.223 A ATOM 32 C LIG 1 4.311 -0.638 0.728 0.00 0.00 +0.013 A ATOM 33 N LIG 1 4.015 -0.684 -2.977 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 8.316 0.394 -0.323 0.00 0.00 +0.244 C ATOM 35 O LIG 1 9.113 0.622 0.581 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 8.724 0.469 -1.621 0.00 0.00 -0.325 N ATOM 37 H LIG 1 9.674 0.745 -1.821 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 8.069 0.317 -2.382 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7