REMARK Name = BDB032463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.436 -2.132 -0.248 0.00 0.00 +0.137 C ENDROOT BRANCH 1 6 ATOM 2 C LIG 1 1.289 -2.386 0.451 0.00 0.00 +0.042 A ATOM 3 N LIG 1 1.371 -3.419 1.322 0.00 0.00 -0.260 NA ATOM 4 C LIG 1 0.219 -4.029 1.673 0.00 0.00 +0.111 A ATOM 5 C LIG 1 -1.028 -3.658 1.198 0.00 0.00 +0.025 A ATOM 6 C LIG 1 -1.108 -2.593 0.300 0.00 0.00 -0.027 A ATOM 7 C LIG 1 0.076 -1.946 -0.074 0.00 0.00 +0.028 A BRANCH 2 8 ATOM 8 C LIG 1 2.577 -1.689 0.089 0.00 0.00 +0.056 C BRANCH 8 9 ATOM 9 C LIG 1 2.836 -0.492 1.010 0.00 0.00 +0.010 C BRANCH 9 14 ATOM 10 C LIG 1 7.577 2.126 -0.934 0.00 0.00 +0.104 C ATOM 11 N LIG 1 6.353 1.617 -0.324 0.00 0.00 -0.305 NA ATOM 12 C LIG 1 6.616 0.393 0.449 0.00 0.00 +0.084 C ATOM 13 C LIG 1 5.380 -0.502 0.634 0.00 0.00 +0.019 C ATOM 14 C LIG 1 4.096 0.330 0.683 0.00 0.00 -0.008 C ATOM 15 C LIG 1 3.951 1.161 -0.608 0.00 0.00 +0.019 C ATOM 16 C LIG 1 5.292 1.426 -1.309 0.00 0.00 +0.084 C ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 6 BRANCH 1 17 ATOM 17 N LIG 1 -2.726 -0.798 0.261 0.00 0.00 -0.340 N ATOM 18 H LIG 1 -2.450 -0.688 1.234 0.00 0.00 +0.146 HD BRANCH 17 19 ATOM 19 C LIG 1 -3.960 -0.201 -0.008 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.344 0.912 0.755 0.00 0.00 +0.031 A ATOM 21 C LIG 1 -5.540 1.615 0.510 0.00 0.00 -0.011 A ATOM 22 C LIG 1 -6.380 1.221 -0.550 0.00 0.00 +0.022 A ATOM 23 C LIG 1 -7.572 1.962 -0.750 0.00 0.00 +0.124 A ATOM 24 N LIG 1 -7.924 3.008 0.020 0.00 0.00 -0.240 NA ATOM 25 C LIG 1 -7.094 3.358 1.020 0.00 0.00 +0.113 A ATOM 26 C LIG 1 -5.970 0.126 -1.343 0.00 0.00 +0.014 A ATOM 27 C LIG 1 -5.909 2.705 1.302 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -4.776 -0.558 -1.082 0.00 0.00 +0.023 A BRANCH 23 29 ATOM 29 N LIG 1 -8.465 1.641 -1.786 0.00 0.00 -0.343 N ATOM 30 H LIG 1 -8.782 0.685 -1.667 0.00 0.00 +0.144 HD ATOM 31 H LIG 1 -7.982 1.718 -2.675 0.00 0.00 +0.144 HD ENDBRANCH 23 29 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 7