REMARK Name = BDB056441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.819 -0.434 0.037 0.00 0.00 +0.237 C ATOM 2 N LIG 1 0.011 0.684 -0.150 0.00 0.00 -0.285 N ATOM 3 C LIG 1 -1.298 0.641 0.532 0.00 0.00 +0.179 C ATOM 4 C LIG 1 -1.905 2.033 0.768 0.00 0.00 +0.137 C ATOM 5 N LIG 1 -1.923 2.866 -0.457 0.00 0.00 -0.323 N ATOM 6 C LIG 1 -0.611 2.930 -1.183 0.00 0.00 +0.095 C ATOM 7 C LIG 1 0.238 4.042 -0.528 0.00 0.00 +0.061 C ATOM 8 C LIG 1 -0.864 4.957 -0.102 0.00 0.00 -0.025 A ATOM 9 C LIG 1 -0.802 6.283 0.285 0.00 0.00 +0.005 A ATOM 10 C LIG 1 -1.986 6.902 0.698 0.00 0.00 +0.000 A ATOM 11 C LIG 1 -3.197 6.187 0.731 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -3.240 4.841 0.357 0.00 0.00 +0.023 A ATOM 13 C LIG 1 -2.067 4.239 -0.064 0.00 0.00 +0.033 A ATOM 14 C LIG 1 0.106 1.577 -1.311 0.00 0.00 +0.131 C ATOM 15 O LIG 1 0.568 -1.254 0.932 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 16 ATOM 16 C LIG 1 -2.300 -0.278 -0.203 0.00 0.00 +0.236 C ATOM 17 N LIG 1 -3.308 -0.761 0.605 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -3.348 -0.505 1.581 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 -2.216 -0.570 -1.394 0.00 0.00 -0.274 OA BRANCH 17 20 ATOM 20 C LIG 1 -4.351 -1.645 0.107 0.00 0.00 +0.110 C ATOM 21 C LIG 1 -4.793 -2.606 1.187 0.00 0.00 +0.014 A ATOM 22 C LIG 1 -6.152 -2.811 1.450 0.00 0.00 +0.125 A ATOM 23 C LIG 1 -6.556 -3.686 2.461 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -5.605 -4.404 3.188 0.00 0.00 +0.004 A ATOM 25 C LIG 1 -4.248 -4.246 2.905 0.00 0.00 +0.001 A ATOM 26 O LIG 1 -7.154 -2.175 0.764 0.00 0.00 -0.492 OA ATOM 27 C LIG 1 -6.751 -1.693 -0.523 0.00 0.00 +0.231 C ATOM 28 C LIG 1 -3.846 -3.352 1.910 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -5.522 -0.812 -0.415 0.00 0.00 +0.068 C ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 1 30 ATOM 30 C LIG 1 2.087 -0.618 -0.835 0.00 0.00 +0.162 C BRANCH 30 31 ATOM 31 C LIG 1 2.074 -2.015 -1.507 0.00 0.00 +0.018 C ATOM 32 C LIG 1 0.859 -2.167 -2.452 0.00 0.00 +0.006 C ATOM 33 C LIG 1 1.053 -3.210 -3.555 0.00 0.00 +0.000 C ATOM 34 C LIG 1 2.024 -4.301 -3.136 0.00 0.00 +0.000 C ATOM 35 C LIG 1 3.408 -3.734 -2.819 0.00 0.00 +0.000 C ATOM 36 C LIG 1 3.374 -2.301 -2.279 0.00 0.00 +0.006 C ENDBRANCH 30 31 BRANCH 30 38 ATOM 37 C LIG 1 3.726 0.723 0.477 0.00 0.00 +0.231 C ATOM 38 N LIG 1 3.209 -0.493 0.085 0.00 0.00 -0.302 N ATOM 39 H LIG 1 3.499 -1.303 0.624 0.00 0.00 +0.150 HD ATOM 40 O LIG 1 3.344 1.793 0.011 0.00 0.00 -0.274 OA BRANCH 37 41 ATOM 41 C LIG 1 4.800 0.588 1.589 0.00 0.00 +0.140 C BRANCH 41 42 ATOM 42 N LIG 1 5.767 -0.488 1.243 0.00 0.00 -0.309 NA ATOM 43 H LIG 1 6.371 -0.656 2.049 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 6.605 -0.158 0.093 0.00 0.00 +0.101 C ENDBRANCH 41 42 BRANCH 41 46 ATOM 45 C LIG 1 6.419 1.871 3.108 0.00 0.00 +0.006 C ATOM 46 C LIG 1 5.419 1.950 1.962 0.00 0.00 +0.025 C ENDBRANCH 41 46 ENDBRANCH 37 41 ENDBRANCH 30 38 ENDBRANCH 1 30 TORSDOF 8