REMARK Name = BDB010430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.141 -0.494 0.203 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.886 -1.030 -0.088 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.523 -2.257 0.448 0.00 0.00 +0.185 A ATOM 4 N LIG 1 0.725 -2.636 0.059 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.148 -1.683 -0.735 0.00 0.00 +0.201 A ATOM 6 N LIG 1 -1.304 -2.995 1.250 0.00 0.00 -0.202 NA ATOM 7 C LIG 1 -2.492 -2.427 1.468 0.00 0.00 +0.221 A ATOM 8 N LIG 1 0.208 -0.674 -0.851 0.00 0.00 -0.307 N ATOM 9 N LIG 1 -2.938 -1.246 0.986 0.00 0.00 -0.206 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 2.349 -1.632 -1.385 0.00 0.00 -0.289 N ATOM 11 C LIG 1 3.501 -2.186 -0.584 0.00 0.00 +0.135 C ATOM 12 C LIG 1 4.656 -2.666 -1.526 0.00 0.00 +0.140 C ATOM 13 C LIG 1 5.833 -3.265 -0.757 0.00 0.00 +0.040 C ATOM 14 O LIG 1 4.239 -3.686 -2.464 0.00 0.00 -0.373 OA ATOM 15 C LIG 1 2.850 -3.614 -2.805 0.00 0.00 +0.179 C ATOM 16 C LIG 1 2.306 -2.183 -2.763 0.00 0.00 +0.136 C BRANCH 11 17 ATOM 17 C LIG 1 3.943 -1.129 0.424 0.00 0.00 -0.025 A ATOM 18 C LIG 1 3.605 -1.282 1.779 0.00 0.00 +0.005 A ATOM 19 C LIG 1 3.988 -0.329 2.724 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.710 0.794 2.327 0.00 0.00 +0.000 A ATOM 21 C LIG 1 5.042 0.970 0.986 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.657 0.018 0.039 0.00 0.00 +0.005 A ENDBRANCH 11 17 ENDBRANCH 5 10 BRANCH 7 23 ATOM 23 C LIG 1 -3.414 -3.171 2.352 0.00 0.00 +0.287 A ATOM 24 O LIG 1 -4.586 -2.548 2.640 0.00 0.00 -0.385 OA ATOM 25 C LIG 1 -5.234 -3.422 3.452 0.00 0.00 +0.436 A ATOM 26 O LIG 1 -6.335 -3.256 3.946 0.00 0.00 -0.221 OA ATOM 27 N LIG 1 -4.408 -4.501 3.594 0.00 0.00 -0.208 N ATOM 28 H LIG 1 -4.606 -5.327 4.143 0.00 0.00 +0.195 HD ATOM 29 N LIG 1 -3.252 -4.342 2.897 0.00 0.00 -0.127 NA ENDBRANCH 7 23 BRANCH 1 30 ATOM 30 N LIG 1 -2.570 0.733 -0.269 0.00 0.00 -0.324 N ATOM 31 H LIG 1 -1.827 1.419 -0.270 0.00 0.00 +0.148 HD BRANCH 30 33 ATOM 32 C LIG 1 -3.964 1.619 1.590 0.00 0.00 +0.028 C ATOM 33 C LIG 1 -3.863 1.327 0.096 0.00 0.00 +0.072 C BRANCH 33 34 ATOM 34 C LIG 1 -5.060 0.573 -0.495 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -6.413 1.344 -0.537 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -7.115 -0.023 -0.423 0.00 0.00 +0.001 C ATOM 37 C LIG 1 -5.839 -0.536 0.274 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 1 30 BRANCH 8 38 ATOM 38 C LIG 1 0.360 0.509 -1.676 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 1.347 1.565 -1.139 0.00 0.00 +0.009 C ATOM 40 C LIG 1 1.086 1.940 0.333 0.00 0.00 +0.005 C ATOM 41 C LIG 1 1.679 3.303 0.670 0.00 0.00 +0.003 C ATOM 42 C LIG 1 0.991 4.421 -0.133 0.00 0.00 -0.014 C ATOM 43 C LIG 1 1.915 5.634 -0.245 0.00 0.00 +0.007 C ATOM 44 C LIG 1 0.515 3.944 -1.518 0.00 0.00 +0.003 C ATOM 45 C LIG 1 1.371 2.804 -2.060 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 8 38 TORSDOF 8