REMARK Name = BDB043016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.350 3.663 -0.501 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -0.453 2.380 0.000 0.00 0.00 +0.163 A ATOM 3 N LIG 1 0.765 1.736 -0.266 0.00 0.00 -0.200 N ATOM 4 C LIG 1 0.975 0.387 0.136 0.00 0.00 +0.126 A ATOM 5 C LIG 1 -0.036 -0.238 0.768 0.00 0.00 +0.087 A ATOM 6 C LIG 1 -1.308 0.513 1.007 0.00 0.00 +0.124 A ATOM 7 N LIG 1 1.625 2.581 -0.916 0.00 0.00 -0.171 NA ATOM 8 N LIG 1 -1.486 1.759 0.642 0.00 0.00 -0.213 NA ATOM 9 C LIG 1 0.946 3.717 -1.049 0.00 0.00 +0.141 A ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -1.846 5.131 -1.874 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.391 4.741 -0.466 0.00 0.00 +0.018 C ATOM 12 C LIG 1 -0.905 5.973 0.300 0.00 0.00 +0.012 C ENDBRANCH 1 11 BRANCH 6 13 ATOM 13 N LIG 1 -2.385 -0.060 1.638 0.00 0.00 -0.329 N ATOM 14 H LIG 1 -3.175 0.577 1.672 0.00 0.00 +0.147 HD BRANCH 13 15 ATOM 15 C LIG 1 -2.731 -1.469 1.644 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 -3.069 -2.002 0.238 0.00 0.00 +0.037 C ATOM 17 C LIG 1 -4.231 -1.247 -0.424 0.00 0.00 +0.133 C ATOM 18 C LIG 1 -5.564 -1.486 0.323 0.00 0.00 +0.112 C ATOM 19 N LIG 1 -5.650 -2.782 1.018 0.00 0.00 -0.314 NA ATOM 20 H LIG 1 -6.629 -3.058 1.093 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -4.900 -3.817 0.312 0.00 0.00 +0.081 C ATOM 22 C LIG 1 -3.397 -3.513 0.309 0.00 0.00 +0.023 C BRANCH 17 23 ATOM 23 O LIG 1 -4.344 -1.709 -1.779 0.00 0.00 -0.390 OA ATOM 24 H LIG 1 -4.968 -1.118 -2.235 0.00 0.00 +0.210 HD ENDBRANCH 17 23 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 4 25 ATOM 25 N LIG 1 2.179 -0.274 -0.116 0.00 0.00 -0.323 N ATOM 26 H LIG 1 2.322 -1.143 0.399 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.456 0.343 -0.456 0.00 0.00 +0.160 C BRANCH 27 28 ATOM 28 C LIG 1 4.625 -0.599 -0.371 0.00 0.00 +0.079 A ATOM 29 N LIG 1 4.559 -1.730 0.425 0.00 0.00 -0.214 NA ATOM 30 C LIG 1 5.715 -2.346 0.286 0.00 0.00 +0.235 A ATOM 31 N LIG 1 6.537 -1.637 -0.588 0.00 0.00 -0.291 N ATOM 32 C LIG 1 7.817 -2.060 -0.915 0.00 0.00 +0.095 A ATOM 33 C LIG 1 8.288 -3.192 -0.374 0.00 0.00 +0.038 A ATOM 34 C LIG 1 7.345 -3.888 0.548 0.00 0.00 +0.116 A ATOM 35 N LIG 1 6.146 -3.507 0.864 0.00 0.00 -0.220 NA ATOM 36 C LIG 1 5.848 -0.530 -1.005 0.00 0.00 +0.119 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 4 25 TORSDOF 8