REMARK Name = BDB015838 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.436 0.977 1.492 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.249 -0.152 1.468 0.00 0.00 -0.024 A ATOM 3 C LIG 1 0.747 -1.563 1.566 0.00 0.00 +0.046 C ATOM 4 C LIG 1 2.659 0.188 1.344 0.00 0.00 +0.047 A ATOM 5 C LIG 1 2.820 1.559 1.246 0.00 0.00 +0.059 A ATOM 6 S LIG 1 1.353 2.418 1.324 0.00 0.00 -0.096 S ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.768 -0.777 1.290 0.00 0.00 +0.245 C ATOM 8 N LIG 1 4.997 -0.277 1.649 0.00 0.00 -0.307 N ATOM 9 H LIG 1 5.059 0.635 2.082 0.00 0.00 +0.149 HD ATOM 10 O LIG 1 3.602 -1.949 0.966 0.00 0.00 -0.270 OA BRANCH 8 11 ATOM 11 C LIG 1 6.179 -1.103 1.730 0.00 0.00 +0.145 C BRANCH 11 12 ATOM 12 C LIG 1 7.250 -0.498 0.874 0.00 0.00 +0.037 A ATOM 13 C LIG 1 7.963 0.669 1.488 0.00 0.00 +0.254 A ATOM 14 O LIG 1 7.629 1.136 2.574 0.00 0.00 -0.268 OA ATOM 15 N LIG 1 9.000 1.205 0.769 0.00 0.00 -0.326 N ATOM 16 H LIG 1 9.470 1.990 1.203 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 9.397 0.763 -0.469 0.00 0.00 +0.016 A ATOM 18 C LIG 1 10.544 1.478 -1.114 0.00 0.00 +0.063 C ATOM 19 C LIG 1 8.747 -0.265 -1.032 0.00 0.00 +0.024 A ATOM 20 C LIG 1 7.641 -0.922 -0.349 0.00 0.00 -0.039 A ATOM 21 C LIG 1 7.008 -2.051 -1.116 0.00 0.00 +0.044 C ENDBRANCH 11 12 ENDBRANCH 8 11 ENDBRANCH 4 7 BRANCH 1 24 ATOM 22 C LIG 1 -0.894 0.728 4.148 0.00 0.00 +0.035 C ATOM 23 C LIG 1 -1.560 0.957 2.825 0.00 0.00 -0.026 C ATOM 24 C LIG 1 -0.993 1.078 1.604 0.00 0.00 -0.038 C BRANCH 24 25 ATOM 25 C LIG 1 -1.886 1.341 0.396 0.00 0.00 +0.037 C BRANCH 25 26 ATOM 26 C LIG 1 -2.027 0.099 -0.490 0.00 0.00 +0.020 C BRANCH 26 27 ATOM 27 C LIG 1 -2.877 0.325 -1.751 0.00 0.00 +0.085 C BRANCH 27 28 ATOM 28 N LIG 1 -4.305 0.003 -1.594 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 -4.979 -0.066 -2.891 0.00 0.00 +0.086 C ATOM 30 C LIG 1 -6.362 -0.710 -2.746 0.00 0.00 +0.034 C ATOM 31 C LIG 1 -7.068 -0.388 -1.406 0.00 0.00 +0.058 C ATOM 32 C LIG 1 -6.537 0.963 -0.900 0.00 0.00 +0.034 C ATOM 33 C LIG 1 -5.013 0.921 -0.694 0.00 0.00 +0.086 C BRANCH 31 34 ATOM 34 N LIG 1 -8.549 -0.442 -1.562 0.00 0.00 -0.305 NA ATOM 35 C LIG 1 -8.996 -1.788 -1.947 0.00 0.00 +0.104 C ATOM 36 C LIG 1 -9.259 -0.045 -0.342 0.00 0.00 +0.104 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 9