REMARK Name = BDB010695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.596 -1.625 0.219 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.621 -0.647 0.294 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.589 -1.280 0.483 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.278 -2.624 0.358 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.181 -3.617 0.401 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.427 -3.152 0.570 0.00 0.00 +0.203 A ATOM 7 N LIG 1 2.825 -1.874 0.712 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.907 -0.887 0.690 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.058 -2.823 0.189 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.179 -1.662 2.633 0.00 0.00 +0.029 C ATOM 11 C LIG 1 -3.624 -0.892 1.381 0.00 0.00 +0.087 C ATOM 12 N LIG 1 -2.921 -1.327 0.132 0.00 0.00 -0.296 N ATOM 13 C LIG 1 -3.719 -2.223 -0.742 0.00 0.00 +0.123 C ATOM 14 C LIG 1 -4.722 -3.088 0.044 0.00 0.00 +0.100 C ATOM 15 N LIG 1 -5.673 -2.336 0.887 0.00 0.00 -0.313 NA ATOM 16 H LIG 1 -6.566 -2.250 0.404 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -5.165 -0.987 1.193 0.00 0.00 +0.103 C ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 3.481 -4.190 0.619 0.00 0.00 +0.220 A ATOM 19 N LIG 1 3.136 -5.481 0.478 0.00 0.00 -0.269 N ATOM 20 H LIG 1 2.210 -5.851 0.338 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 4.264 -6.197 0.562 0.00 0.00 +0.440 A ATOM 22 O LIG 1 4.352 -7.412 0.481 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 5.314 -5.333 0.756 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 4.752 -4.015 0.788 0.00 0.00 -0.051 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 N LIG 1 2.288 0.436 0.860 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.623 0.975 1.399 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.686 0.720 1.200 0.00 0.00 +0.072 C ATOM 28 C LIG 1 3.914 0.525 2.700 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 3.985 2.177 0.831 0.00 0.00 +0.009 C ATOM 30 C LIG 1 3.989 2.515 -0.687 0.00 0.00 +0.005 C ATOM 31 C LIG 1 5.145 3.492 -0.393 0.00 0.00 +0.001 C ATOM 32 C LIG 1 5.476 2.617 0.832 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.827 0.778 0.095 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -0.272 1.320 -1.242 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.181 2.851 -1.204 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.546 3.543 -1.180 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.621 2.818 -2.009 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.596 3.818 -2.629 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -1.990 1.925 -3.078 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.091 0.848 -2.464 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7