REMARK Name = BDB010362 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.766 0.500 0.427 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.538 1.017 0.006 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.504 2.117 -0.840 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -0.771 2.490 -1.142 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.542 1.667 -0.478 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.591 2.753 -1.297 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 2.720 2.222 -0.833 0.00 0.00 +0.203 A ATOM 8 N LIG 1 -0.797 0.725 0.205 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.862 1.155 -0.008 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 3.986 2.865 -1.255 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.147 2.419 -0.750 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.274 1.675 -0.087 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.120 3.163 -1.290 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.315 3.048 -1.068 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.548 4.078 -2.137 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.134 3.847 -2.084 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 1.886 -0.591 1.268 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.076 -1.192 1.265 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.216 -0.565 2.133 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.128 -1.359 1.420 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.569 -2.040 0.120 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.686 -3.121 0.217 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.081 -2.734 -1.223 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.479 -1.343 -0.935 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 -2.901 1.665 -0.447 0.00 0.00 -0.298 N ATOM 26 C LIG 1 -3.546 1.897 -1.747 0.00 0.00 +0.132 C BRANCH 25 27 ATOM 27 C LIG 1 -3.520 2.416 0.671 0.00 0.00 +0.164 C BRANCH 27 28 ATOM 28 C LIG 1 -3.737 3.895 0.426 0.00 0.00 +0.077 A ATOM 29 N LIG 1 -5.011 4.318 0.185 0.00 0.00 -0.255 NA ATOM 30 C LIG 1 -5.164 5.647 -0.012 0.00 0.00 +0.131 A ATOM 31 C LIG 1 -4.103 6.533 0.038 0.00 0.00 +0.130 A ATOM 32 N LIG 1 -2.838 6.130 0.281 0.00 0.00 -0.260 NA ATOM 33 C LIG 1 -2.676 4.795 0.458 0.00 0.00 +0.135 A ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 34 ATOM 34 C LIG 1 -1.345 -0.374 0.983 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -1.343 -1.723 0.233 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.365 -1.728 -0.923 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.780 -3.147 -1.292 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.519 -3.831 -0.129 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -3.415 -5.351 -0.260 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.025 -3.349 1.247 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.569 -2.896 1.210 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 9