REMARK Name = BDB019584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.610 0.620 1.109 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.679 -0.679 0.590 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.915 -1.242 0.234 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -3.082 -0.481 0.413 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -3.032 0.812 0.956 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -1.786 1.356 1.297 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.986 -2.600 -0.315 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -1.905 -3.757 0.484 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -1.739 -3.681 1.977 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.968 -5.013 -0.135 0.00 0.00 +0.023 A ATOM 11 C LIG 1 -2.120 -5.078 -1.512 0.00 0.00 +0.111 A ATOM 12 N LIG 1 -2.209 -3.994 -2.307 0.00 0.00 -0.263 NA ATOM 13 C LIG 1 -2.141 -2.790 -1.692 0.00 0.00 +0.119 A ENDBRANCH 3 7 BRANCH 1 16 ATOM 14 N LIG 1 1.797 0.819 0.808 0.00 0.00 -0.307 N ATOM 15 H LIG 1 1.677 0.315 -0.060 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 0.684 1.243 1.499 0.00 0.00 +0.244 C ATOM 17 O LIG 1 0.716 2.103 2.371 0.00 0.00 -0.270 OA BRANCH 14 18 ATOM 18 C LIG 1 3.076 1.451 1.032 0.00 0.00 +0.140 C BRANCH 18 23 ATOM 19 C LIG 1 5.724 -1.151 0.171 0.00 0.00 +0.124 A ATOM 20 C LIG 1 6.145 -0.713 -1.088 0.00 0.00 +0.091 A ATOM 21 C LIG 1 5.577 0.430 -1.659 0.00 0.00 +0.124 A ATOM 22 C LIG 1 4.589 1.133 -0.964 0.00 0.00 +0.051 A ATOM 23 C LIG 1 4.164 0.713 0.302 0.00 0.00 -0.023 A ATOM 24 C LIG 1 4.736 -0.439 0.855 0.00 0.00 +0.051 A BRANCH 19 26 ATOM 25 C LIG 1 7.211 -3.011 0.201 0.00 0.00 +0.277 C ATOM 26 O LIG 1 6.190 -2.253 0.837 0.00 0.00 -0.495 OA ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 O LIG 1 5.891 0.961 -2.881 0.00 0.00 -0.495 OA ATOM 28 C LIG 1 6.909 0.308 -3.630 0.00 0.00 +0.277 C ENDBRANCH 21 27 ENDBRANCH 18 23 ENDBRANCH 14 18 ENDBRANCH 1 16 BRANCH 5 29 ATOM 29 C LIG 1 -4.292 1.623 1.138 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -4.448 2.523 0.015 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -4.292 2.057 -0.875 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -5.511 3.346 -0.094 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -5.914 4.010 1.020 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -5.141 4.355 1.577 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -6.848 5.027 0.583 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -7.212 4.528 -0.819 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -6.144 3.565 -1.208 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 9