REMARK Name = BDB001362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.851 -3.206 0.549 0.00 0.00 +0.000 N ATOM 2 C LIG 1 -1.553 -2.091 -0.375 0.00 0.00 +0.000 C ATOM 3 C LIG 1 -1.974 -2.697 -1.706 0.00 0.00 +0.000 A ATOM 4 C LIG 1 -2.570 -3.939 -1.502 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -3.073 -4.715 -2.530 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.960 -4.215 -3.827 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.356 -2.967 -4.059 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -1.859 -2.201 -2.998 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -2.548 -4.231 -0.070 0.00 0.00 +0.000 C ATOM 10 O LIG 1 -3.081 -5.199 0.438 0.00 0.00 +0.000 OA ENDROOT BRANCH 2 11 ATOM 11 C LIG 1 -0.060 -1.737 -0.280 0.00 0.00 +0.000 A ATOM 12 C LIG 1 0.402 -0.636 0.466 0.00 0.00 +0.000 A ATOM 13 C LIG 1 1.768 -0.341 0.575 0.00 0.00 +0.000 A ATOM 14 C LIG 1 2.713 -1.152 -0.047 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.279 -2.262 -0.768 0.00 0.00 +0.000 A ATOM 16 C LIG 1 0.916 -2.554 -0.882 0.00 0.00 +0.000 A BRANCH 14 17 ATOM 17 O LIG 1 4.069 -0.984 -0.019 0.00 0.00 +0.000 OA BRANCH 17 18 ATOM 18 C LIG 1 4.560 0.205 0.592 0.00 0.00 +0.000 C BRANCH 18 19 ATOM 19 O LIG 1 5.983 0.245 0.473 0.00 0.00 +0.000 OA BRANCH 19 20 ATOM 20 C LIG 1 6.528 1.433 1.038 0.00 0.00 +0.000 C BRANCH 20 21 ATOM 21 C LIG 1 8.046 1.407 0.886 0.00 0.00 +0.000 C BRANCH 21 22 ATOM 22 SI LIG 1 8.710 1.717 -0.879 0.00 0.00 +0.000 Si ATOM 23 C LIG 1 8.122 0.380 -2.049 0.00 0.00 +0.000 C ATOM 24 C LIG 1 10.589 1.705 -0.813 0.00 0.00 +0.000 C ATOM 25 C LIG 1 8.125 3.395 -1.481 0.00 0.00 +0.000 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 2 11 BRANCH 2 26 ATOM 26 N LIG 1 -2.477 -1.023 -0.032 0.00 0.00 +0.000 N ATOM 27 H LIG 1 -3.197 -1.298 0.612 0.00 0.00 +0.000 HD ATOM 28 C LIG 1 -2.575 0.183 -0.682 0.00 0.00 +0.000 C ATOM 29 O LIG 1 -1.767 0.600 -1.501 0.00 0.00 +0.000 OA BRANCH 28 30 ATOM 30 C LIG 1 -3.740 1.030 -0.306 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -4.977 0.483 0.042 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -6.045 1.321 0.391 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.909 2.720 0.393 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -4.657 3.247 0.019 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.588 2.417 -0.331 0.00 0.00 +0.000 A BRANCH 33 36 ATOM 36 C LIG 1 -7.062 3.667 0.771 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.646 4.539 1.974 0.00 0.00 +0.000 C ATOM 38 C LIG 1 -7.396 4.581 -0.428 0.00 0.00 +0.000 C ATOM 39 C LIG 1 -8.366 2.937 1.167 0.00 0.00 +0.000 C ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 2 26 BRANCH 1 40 ATOM 40 C LIG 1 -1.755 -3.091 1.999 0.00 0.00 +0.000 C BRANCH 40 42 ATOM 41 C LIG 1 0.432 -4.373 2.261 0.00 0.00 +0.000 C ATOM 42 C LIG 1 -1.024 -4.250 2.680 0.00 0.00 +0.000 C ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 12