REMARK Name = BDB014496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.323 -0.292 2.692 0.00 0.00 +0.251 C ATOM 2 N LIG 1 0.137 0.261 1.442 0.00 0.00 -0.310 N ATOM 3 H LIG 1 0.887 0.102 0.775 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -0.597 -0.515 3.477 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 1.786 -0.559 3.050 0.00 0.00 +0.324 C BRANCH 5 6 ATOM 6 O LIG 1 2.640 -0.765 1.933 0.00 0.00 -0.481 OA BRANCH 6 8 ATOM 7 C LIG 1 3.621 -2.180 0.305 0.00 0.00 +0.072 A ATOM 8 C LIG 1 2.678 -2.007 1.348 0.00 0.00 +0.142 A ATOM 9 C LIG 1 1.828 -3.067 1.693 0.00 0.00 +0.047 A ATOM 10 C LIG 1 1.908 -4.290 1.024 0.00 0.00 +0.004 A ATOM 11 C LIG 1 2.832 -4.468 0.001 0.00 0.00 +0.002 A ATOM 12 C LIG 1 3.676 -3.419 -0.356 0.00 0.00 +0.027 A BRANCH 7 18 ATOM 13 C LIG 1 6.047 3.746 0.734 0.00 0.00 +0.109 C ATOM 14 C LIG 1 5.660 2.967 -0.497 0.00 0.00 +0.213 C ATOM 15 N LIG 1 5.237 1.664 -0.312 0.00 0.00 -0.299 N ATOM 16 C LIG 1 5.186 0.969 0.981 0.00 0.00 +0.126 C ATOM 17 C LIG 1 5.374 -0.556 0.861 0.00 0.00 +0.124 C ATOM 18 N LIG 1 4.502 -1.180 -0.156 0.00 0.00 -0.324 N ATOM 19 C LIG 1 3.849 -0.259 -1.107 0.00 0.00 +0.124 C ATOM 20 C LIG 1 4.790 0.898 -1.480 0.00 0.00 +0.126 C ATOM 21 O LIG 1 5.733 3.488 -1.612 0.00 0.00 -0.276 OA ENDBRANCH 7 18 ENDBRANCH 6 8 ENDBRANCH 5 6 ENDBRANCH 1 5 BRANCH 2 22 ATOM 22 C LIG 1 -1.196 0.443 0.892 0.00 0.00 +0.136 C BRANCH 22 23 ATOM 23 C LIG 1 -1.758 -0.867 0.322 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 O LIG 1 -1.045 -1.192 -0.888 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 -1.648 -0.922 -1.612 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 -3.276 -0.833 0.023 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 -3.614 -0.204 -1.279 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -4.933 -0.675 -1.761 0.00 0.00 +0.120 C ATOM 29 C LIG 1 -6.098 0.157 -1.282 0.00 0.00 -0.030 A ATOM 30 C LIG 1 -5.976 1.553 -1.390 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -7.042 2.382 -1.041 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.226 1.818 -0.564 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.347 0.431 -0.446 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.659 2.071 -1.901 0.00 0.00 +0.051 C ATOM 35 C LIG 1 -7.288 -0.402 -0.810 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -3.520 1.278 -1.228 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 2 22 TORSDOF 9