REMARK Name = BDB009107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.844 -1.698 0.307 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.698 -0.569 1.088 0.00 0.00 -0.281 N ATOM 3 H LIG 1 1.176 -0.553 1.990 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.315 -1.905 -0.780 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 6 ATOM 5 C LIG 1 2.906 -2.586 1.544 0.00 0.00 +0.034 A ATOM 6 C LIG 1 1.697 -2.788 0.866 0.00 0.00 +0.048 A ATOM 7 C LIG 1 1.273 -4.106 0.630 0.00 0.00 +0.014 A ATOM 8 C LIG 1 2.023 -5.192 1.090 0.00 0.00 +0.001 A ATOM 9 C LIG 1 3.210 -4.977 1.786 0.00 0.00 +0.001 A ATOM 10 C LIG 1 3.655 -3.676 2.016 0.00 0.00 +0.012 A BRANCH 5 11 ATOM 11 C LIG 1 3.436 -1.243 1.811 0.00 0.00 +0.194 C ATOM 12 O LIG 1 2.883 -0.596 2.698 0.00 0.00 -0.287 OA BRANCH 11 17 ATOM 13 C LIG 1 7.909 1.014 -1.107 0.00 0.00 +0.044 C ATOM 14 C LIG 1 6.738 0.430 -0.374 0.00 0.00 -0.050 A ATOM 15 C LIG 1 6.243 1.052 0.778 0.00 0.00 +0.004 A ATOM 16 C LIG 1 5.168 0.497 1.475 0.00 0.00 +0.012 A ATOM 17 C LIG 1 4.583 -0.697 1.038 0.00 0.00 +0.022 A ATOM 18 C LIG 1 5.080 -1.327 -0.108 0.00 0.00 +0.012 A ATOM 19 C LIG 1 6.156 -0.768 -0.804 0.00 0.00 +0.004 A ENDBRANCH 11 17 ENDBRANCH 5 11 ENDBRANCH 1 6 BRANCH 2 20 ATOM 20 C LIG 1 -0.021 0.605 0.781 0.00 0.00 +0.034 A ATOM 21 C LIG 1 -0.702 0.816 -0.420 0.00 0.00 +0.027 A ATOM 22 C LIG 1 -1.409 2.009 -0.651 0.00 0.00 -0.040 A ATOM 23 C LIG 1 -1.404 3.006 0.332 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -0.719 2.809 1.528 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -0.032 1.614 1.751 0.00 0.00 +0.023 A BRANCH 22 26 ATOM 26 C LIG 1 -2.138 2.220 -1.958 0.00 0.00 +0.092 C BRANCH 26 27 ATOM 27 C LIG 1 -3.627 2.502 -1.779 0.00 0.00 +0.069 A ATOM 28 C LIG 1 -4.560 1.384 -1.429 0.00 0.00 -0.016 A ATOM 29 C LIG 1 -4.062 -0.028 -1.289 0.00 0.00 +0.037 C ATOM 30 C LIG 1 -5.187 -1.068 -1.284 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -6.340 -0.622 -0.394 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -6.914 0.714 -0.869 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -5.853 1.709 -1.254 0.00 0.00 +0.023 A ATOM 34 C LIG 1 -6.300 3.113 -1.436 0.00 0.00 +0.268 A ATOM 35 O LIG 1 -7.474 3.442 -1.300 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -5.325 4.012 -1.771 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -5.609 4.977 -1.899 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -4.005 3.737 -1.939 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 2 20 TORSDOF 6