REMARK Name = BDB004759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.190 -2.698 2.724 0.00 0.00 +0.033 C ATOM 2 C LIG 1 1.712 -2.341 1.326 0.00 0.00 +0.099 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.595 -2.361 0.290 0.00 0.00 -0.026 A ATOM 4 C LIG 1 -0.568 -1.581 0.442 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.577 -1.587 -0.525 0.00 0.00 +0.034 A ATOM 6 C LIG 1 -1.427 -2.401 -1.653 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -0.280 -3.177 -1.822 0.00 0.00 +0.002 A ATOM 8 C LIG 1 0.727 -3.152 -0.859 0.00 0.00 +0.005 A BRANCH 5 9 ATOM 9 N LIG 1 -2.759 -0.821 -0.431 0.00 0.00 -0.281 N ATOM 10 H LIG 1 -3.412 -0.936 -1.195 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -3.061 0.138 0.519 0.00 0.00 +0.248 C ATOM 12 O LIG 1 -2.324 0.551 1.406 0.00 0.00 -0.270 OA BRANCH 11 13 ATOM 13 C LIG 1 -4.417 0.745 0.390 0.00 0.00 +0.041 A ATOM 14 C LIG 1 -5.519 -0.010 -0.036 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -6.736 0.634 -0.122 0.00 0.00 +0.167 A ATOM 16 O LIG 1 -7.906 0.063 -0.517 0.00 0.00 -0.453 OA ATOM 17 C LIG 1 -8.810 1.182 -0.397 0.00 0.00 +0.466 C ATOM 18 O LIG 1 -8.165 2.393 0.050 0.00 0.00 -0.453 OA ATOM 19 C LIG 1 -6.885 1.962 0.203 0.00 0.00 +0.166 A ATOM 20 C LIG 1 -5.825 2.727 0.640 0.00 0.00 +0.050 A ATOM 21 C LIG 1 -4.576 2.105 0.739 0.00 0.00 +0.017 A ENDBRANCH 11 13 ENDBRANCH 5 9 ENDBRANCH 2 3 BRANCH 2 22 ATOM 22 N LIG 1 2.327 -1.010 1.396 0.00 0.00 -0.322 N ATOM 23 H LIG 1 1.613 -0.287 1.356 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.333 -0.709 0.454 0.00 0.00 +0.130 A ATOM 25 C LIG 1 3.900 0.586 0.440 0.00 0.00 +0.041 A ATOM 26 C LIG 1 4.896 0.830 -0.526 0.00 0.00 +0.088 A ATOM 27 C LIG 1 5.461 2.123 -0.570 0.00 0.00 +0.063 A ATOM 28 C LIG 1 5.056 3.131 0.326 0.00 0.00 +0.015 A ATOM 29 C LIG 1 4.089 2.877 1.283 0.00 0.00 +0.002 A ATOM 30 N LIG 1 5.287 -0.153 -1.368 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 4.709 -1.353 -1.240 0.00 0.00 +0.223 A ATOM 32 C LIG 1 3.517 1.613 1.341 0.00 0.00 +0.013 A ATOM 33 N LIG 1 3.760 -1.679 -0.367 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 6.519 2.523 -1.551 0.00 0.00 +0.244 C ATOM 35 O LIG 1 7.008 3.649 -1.547 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 6.940 1.605 -2.466 0.00 0.00 -0.325 N ATOM 37 H LIG 1 6.570 0.659 -2.461 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 7.673 1.857 -3.113 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 2 22 TORSDOF 6