REMARK Name = BDB034367 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.680 1.378 -0.999 0.00 0.00 -0.343 N ATOM 2 H LIG 1 -1.450 1.548 -1.642 0.00 0.00 +0.146 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.155 1.332 0.329 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -2.388 0.677 0.621 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -2.821 0.641 1.966 0.00 0.00 +0.073 A ATOM 6 C LIG 1 -4.030 0.029 2.277 0.00 0.00 +0.037 A ATOM 7 C LIG 1 -4.850 -0.577 1.310 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -4.409 -0.560 -0.015 0.00 0.00 +0.009 A ATOM 9 N LIG 1 -2.109 1.165 2.974 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 -0.921 1.723 2.680 0.00 0.00 +0.113 A ATOM 11 C LIG 1 -3.200 0.052 -0.354 0.00 0.00 +0.012 A ATOM 12 C LIG 1 -0.406 1.818 1.401 0.00 0.00 +0.043 A BRANCH 7 13 ATOM 13 C LIG 1 -6.124 -1.215 1.683 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -6.417 -2.534 1.295 0.00 0.00 +0.008 A ATOM 15 C LIG 1 -7.628 -3.138 1.645 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -8.569 -2.432 2.390 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -8.300 -1.124 2.786 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -7.087 -0.522 2.436 0.00 0.00 +0.008 A ENDBRANCH 7 13 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 0.506 2.160 -1.337 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 C LIG 1 0.821 2.036 -2.829 0.00 0.00 +0.034 C BRANCH 20 21 ATOM 21 C LIG 1 1.178 0.618 -3.301 0.00 0.00 +0.083 C BRANCH 21 22 ATOM 22 N LIG 1 2.273 -0.053 -2.605 0.00 0.00 -0.312 NA ATOM 23 H LIG 1 2.050 -0.139 -1.612 0.00 0.00 +0.122 HD BRANCH 22 24 ATOM 24 C LIG 1 3.561 0.626 -2.747 0.00 0.00 +0.120 C BRANCH 24 27 ATOM 25 C LIG 1 6.221 -0.283 -0.126 0.00 0.00 +0.162 A ATOM 26 C LIG 1 5.218 0.409 -0.825 0.00 0.00 +0.163 A ATOM 27 C LIG 1 4.639 -0.109 -1.989 0.00 0.00 +0.011 A ATOM 28 C LIG 1 5.079 -1.362 -2.442 0.00 0.00 +0.009 A ATOM 29 C LIG 1 6.074 -2.062 -1.755 0.00 0.00 +0.004 A ATOM 30 C LIG 1 6.648 -1.523 -0.600 0.00 0.00 +0.049 A BRANCH 25 32 ATOM 31 C LIG 1 7.717 -0.305 1.722 0.00 0.00 +0.277 C ATOM 32 O LIG 1 6.690 0.360 0.993 0.00 0.00 -0.491 OA ENDBRANCH 25 32 BRANCH 26 33 ATOM 33 O LIG 1 4.798 1.624 -0.340 0.00 0.00 -0.503 OA ATOM 34 H LIG 1 5.333 1.764 0.469 0.00 0.00 +0.292 HD ENDBRANCH 26 33 ENDBRANCH 24 27 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10