REMARK Name = BDB014429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.498 0.651 -0.325 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.335 1.131 0.251 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.050 2.087 0.084 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.913 -0.487 -0.127 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 2.196 1.671 -1.236 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 3.525 1.338 -1.626 0.00 0.00 -0.483 OA BRANCH 6 13 ATOM 7 C LIG 1 6.035 -0.221 3.017 0.00 0.00 +0.173 C ATOM 8 N LIG 1 6.312 1.057 2.405 0.00 0.00 -0.267 N ATOM 9 C LIG 1 5.746 1.550 1.254 0.00 0.00 +0.072 A ATOM 10 C LIG 1 6.324 2.804 1.071 0.00 0.00 +0.020 A ATOM 11 C LIG 1 5.961 3.577 -0.048 0.00 0.00 +0.015 A ATOM 12 C LIG 1 5.014 3.065 -0.944 0.00 0.00 +0.046 A ATOM 13 C LIG 1 4.433 1.819 -0.719 0.00 0.00 +0.123 A ATOM 14 C LIG 1 7.202 2.953 2.167 0.00 0.00 +0.142 A ATOM 15 C LIG 1 4.801 1.020 0.367 0.00 0.00 +0.073 A ATOM 16 N LIG 1 7.192 1.898 2.986 0.00 0.00 -0.179 NA ENDBRANCH 6 13 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 17 ATOM 17 C LIG 1 -0.463 0.316 1.151 0.00 0.00 +0.136 C BRANCH 17 18 ATOM 18 C LIG 1 -1.275 -0.793 0.455 0.00 0.00 +0.145 C BRANCH 18 19 ATOM 19 O LIG 1 -1.858 -1.594 1.497 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -2.544 -2.155 1.097 0.00 0.00 +0.210 HD ENDBRANCH 18 19 BRANCH 18 21 ATOM 21 C LIG 1 -2.396 -0.206 -0.446 0.00 0.00 +0.117 C BRANCH 21 22 ATOM 22 N LIG 1 -2.693 -0.971 -1.677 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -3.030 -2.389 -1.486 0.00 0.00 +0.120 C ATOM 24 C LIG 1 -4.406 -2.628 -0.907 0.00 0.00 -0.030 A ATOM 25 C LIG 1 -5.437 -1.691 -1.105 0.00 0.00 -0.042 A ATOM 26 C LIG 1 -6.716 -1.947 -0.596 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.977 -3.134 0.088 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -5.963 -4.072 0.270 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.154 -0.385 -1.810 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -4.684 -3.824 -0.229 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -3.764 -0.336 -2.469 0.00 0.00 +0.089 C ENDBRANCH 21 22 ENDBRANCH 18 21 ENDBRANCH 17 18 ENDBRANCH 2 17 TORSDOF 8