REMARK Name = BDB021510 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.521 -0.791 -0.157 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -2.763 0.043 0.662 0.00 0.00 +0.092 A ATOM 3 C LIG 1 -1.353 -0.021 0.689 0.00 0.00 +0.136 A ATOM 4 O LIG 1 -0.841 0.886 1.573 0.00 0.00 -0.490 OA ATOM 5 C LIG 1 0.566 0.964 1.766 0.00 0.00 +0.248 C ATOM 6 C LIG 1 1.296 1.164 0.450 0.00 0.00 +0.149 C ATOM 7 N LIG 1 1.681 -0.122 -0.111 0.00 0.00 -0.292 N ATOM 8 C LIG 1 0.778 -1.172 -0.248 0.00 0.00 +0.250 C ATOM 9 O LIG 1 1.168 -2.314 -0.499 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -0.692 -0.941 -0.134 0.00 0.00 +0.079 A ATOM 11 C LIG 1 -1.471 -1.786 -0.952 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -2.865 -1.709 -0.966 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 -4.883 -0.808 -0.257 0.00 0.00 -0.492 OA BRANCH 13 14 ATOM 14 C LIG 1 -5.610 0.118 0.552 0.00 0.00 +0.232 C BRANCH 14 19 ATOM 15 C LIG 1 -11.132 1.032 -0.772 0.00 0.00 +0.104 C ATOM 16 N LIG 1 -9.697 1.070 -0.494 0.00 0.00 -0.305 NA ATOM 17 C LIG 1 -9.435 0.710 0.905 0.00 0.00 +0.084 C ATOM 18 C LIG 1 -7.943 0.808 1.225 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -7.109 -0.066 0.283 0.00 0.00 +0.029 C ATOM 20 C LIG 1 -7.464 0.256 -1.176 0.00 0.00 +0.022 C ATOM 21 C LIG 1 -8.973 0.181 -1.413 0.00 0.00 +0.084 C ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 7 22 ATOM 22 C LIG 1 3.115 -0.441 -0.157 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 3.647 -0.940 1.197 0.00 0.00 +0.146 C BRANCH 23 24 ATOM 24 O LIG 1 3.801 0.182 2.090 0.00 0.00 -0.389 OA ATOM 25 H LIG 1 4.703 0.517 1.898 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 5.007 -1.667 1.095 0.00 0.00 +0.117 C BRANCH 26 27 ATOM 27 N LIG 1 6.108 -0.713 0.819 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 6.499 -0.761 -0.609 0.00 0.00 +0.120 C ATOM 29 C LIG 1 7.699 0.103 -0.933 0.00 0.00 -0.030 A ATOM 30 C LIG 1 8.617 0.463 0.068 0.00 0.00 -0.042 A ATOM 31 C LIG 1 9.741 1.232 -0.261 0.00 0.00 +0.004 A ATOM 32 C LIG 1 9.966 1.621 -1.581 0.00 0.00 +0.000 A ATOM 33 C LIG 1 9.069 1.249 -2.579 0.00 0.00 +0.000 A ATOM 34 C LIG 1 8.357 0.075 1.501 0.00 0.00 +0.051 C ATOM 35 C LIG 1 7.943 0.491 -2.259 0.00 0.00 +0.005 A ATOM 36 C LIG 1 7.297 -1.027 1.636 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 7 22 TORSDOF 8