REMARK Name = BDB007583 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.030 -0.852 -0.589 0.00 0.00 +0.244 C ATOM 2 N LIG 1 -2.012 0.051 -0.930 0.00 0.00 -0.309 N ATOM 3 H LIG 1 -1.842 1.047 -0.918 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 -1.245 -2.056 -0.487 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 8 ATOM 5 C LIG 1 2.995 0.556 0.047 0.00 0.00 +0.121 A ATOM 6 C LIG 1 1.927 1.455 0.115 0.00 0.00 +0.046 A ATOM 7 C LIG 1 0.609 1.027 -0.082 0.00 0.00 +0.016 A ATOM 8 C LIG 1 0.346 -0.317 -0.362 0.00 0.00 +0.037 A ATOM 9 C LIG 1 1.417 -1.219 -0.421 0.00 0.00 +0.016 A ATOM 10 C LIG 1 2.734 -0.786 -0.221 0.00 0.00 +0.046 A BRANCH 5 11 ATOM 11 O LIG 1 4.221 1.122 0.253 0.00 0.00 -0.489 OA BRANCH 11 15 ATOM 12 N LIG 1 7.986 -0.677 0.258 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 7.868 0.700 0.748 0.00 0.00 +0.088 C ATOM 14 C LIG 1 6.427 1.012 1.168 0.00 0.00 +0.060 C ATOM 15 C LIG 1 5.378 0.280 0.321 0.00 0.00 +0.176 C ATOM 16 C LIG 1 5.949 0.029 -1.068 0.00 0.00 +0.060 C ATOM 17 C LIG 1 7.198 -0.854 -0.981 0.00 0.00 +0.088 C BRANCH 12 19 ATOM 18 C LIG 1 10.200 -1.038 1.393 0.00 0.00 +0.024 C ATOM 19 C LIG 1 9.387 -1.138 0.092 0.00 0.00 +0.050 C ATOM 20 C LIG 1 9.449 -2.604 -0.375 0.00 0.00 +0.024 C ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 -3.409 -0.344 -1.018 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 -4.204 0.662 -1.853 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 -4.147 1.947 -1.204 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -4.868 1.913 -0.539 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -5.683 0.274 -2.060 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -6.446 0.388 -0.797 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -7.746 1.053 -1.034 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -8.630 1.098 0.195 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -8.441 0.190 1.252 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -9.286 0.235 2.368 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -10.329 1.159 2.424 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -10.532 2.046 1.370 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.292 -0.785 1.210 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -9.690 2.015 0.259 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -6.700 -0.936 -0.198 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9