REMARK Name = BDB001832 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.286 1.103 -0.267 0.00 0.00 +0.025 A ATOM 2 C LIG 1 1.187 0.011 0.596 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -0.051 -0.345 1.137 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.201 0.389 0.819 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -1.093 1.483 -0.051 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.145 1.839 -0.590 0.00 0.00 +0.017 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.627 1.766 -1.270 0.00 0.00 -0.091 C ATOM 8 C LIG 1 2.555 1.466 -0.818 0.00 0.00 -0.066 C BRANCH 7 9 ATOM 9 C LIG 1 4.943 2.135 -1.811 0.00 0.00 +0.148 C BRANCH 9 12 ATOM 10 C LIG 1 5.801 2.591 1.417 0.00 0.00 +0.088 C ATOM 11 C LIG 1 6.362 1.768 0.332 0.00 0.00 +0.127 A ATOM 12 C LIG 1 6.037 1.548 -0.991 0.00 0.00 +0.094 A ATOM 13 N LIG 1 6.936 0.653 -1.536 0.00 0.00 -0.213 NA ATOM 14 C LIG 1 7.749 0.355 -0.539 0.00 0.00 +0.228 A ATOM 15 O LIG 1 7.454 1.005 0.631 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 8.894 -0.551 -0.522 0.00 0.00 +0.037 A ATOM 17 C LIG 1 9.244 -1.248 -1.689 0.00 0.00 +0.013 A ATOM 18 C LIG 1 10.335 -2.122 -1.703 0.00 0.00 +0.001 A ATOM 19 C LIG 1 11.091 -2.310 -0.549 0.00 0.00 +0.000 A ATOM 20 C LIG 1 10.758 -1.626 0.619 0.00 0.00 +0.001 A ATOM 21 C LIG 1 9.666 -0.753 0.632 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 7 9 ENDBRANCH 1 8 BRANCH 4 22 ATOM 22 C LIG 1 -2.547 -0.008 1.385 0.00 0.00 +0.054 C BRANCH 22 23 ATOM 23 C LIG 1 -3.372 -0.872 0.412 0.00 0.00 +0.132 C BRANCH 23 24 ATOM 24 C LIG 1 -4.832 -0.947 0.836 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -5.835 -0.452 -0.018 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -7.195 -0.499 0.336 0.00 0.00 -0.018 A ATOM 27 C LIG 1 -7.536 -1.059 1.576 0.00 0.00 +0.008 A ATOM 28 C LIG 1 -6.554 -1.556 2.434 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -5.210 -1.500 2.067 0.00 0.00 +0.004 A BRANCH 26 30 ATOM 30 C LIG 1 -8.231 0.024 -0.570 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -8.172 1.341 -1.054 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -9.155 1.837 -1.914 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -10.215 1.023 -2.306 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -10.293 -0.286 -1.837 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -9.309 -0.780 -0.976 0.00 0.00 +0.008 A ENDBRANCH 26 30 ENDBRANCH 23 24 BRANCH 23 36 ATOM 36 C LIG 1 -2.770 -2.261 0.289 0.00 0.00 +0.313 C ATOM 37 O LIG 1 -2.314 -2.947 1.192 0.00 0.00 -0.250 OA BRANCH 36 38 ATOM 38 O LIG 1 -2.800 -2.735 -0.974 0.00 0.00 -0.480 OA ATOM 39 H LIG 1 -2.406 -3.629 -0.904 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 23 36 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 10