REMARK Name = BDB010341 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.811 -2.090 0.585 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.470 -0.860 0.055 0.00 0.00 -0.307 N ATOM 3 C LIG 1 -0.736 -0.487 0.615 0.00 0.00 +0.129 A ATOM 4 C LIG 1 -1.043 -1.543 1.461 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -2.158 -1.621 2.204 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.956 -0.562 2.020 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.748 0.504 1.226 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.618 0.587 0.498 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.083 -2.507 1.447 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -4.214 -0.579 2.800 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.475 -1.628 3.597 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.899 -2.442 3.739 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.658 -1.391 4.178 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.227 -2.121 4.973 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.127 -0.180 3.730 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.141 0.324 2.820 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 1.956 -2.732 0.216 0.00 0.00 -0.304 N ATOM 18 C LIG 1 2.947 -2.744 1.311 0.00 0.00 +0.132 C BRANCH 17 19 ATOM 19 C LIG 1 1.741 -4.105 -0.315 0.00 0.00 +0.110 C BRANCH 19 21 ATOM 20 C LIG 1 -0.077 -3.850 -2.096 0.00 0.00 +0.009 C ATOM 21 C LIG 1 1.409 -4.098 -1.822 0.00 0.00 +0.000 C ATOM 22 C LIG 1 1.810 -5.439 -2.446 0.00 0.00 +0.009 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 1 17 BRANCH 8 23 ATOM 23 N LIG 1 -1.384 1.683 -0.314 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -0.402 1.903 -0.411 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.228 2.885 -0.278 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -2.152 3.594 1.073 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -3.677 2.639 -0.698 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.471 3.880 -1.198 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.148 2.945 -2.220 0.00 0.00 +0.001 C ATOM 30 C LIG 1 -3.897 2.050 -2.120 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 31 ATOM 31 C LIG 1 1.178 -0.180 -1.011 0.00 0.00 +0.128 C BRANCH 31 32 ATOM 32 C LIG 1 2.310 0.792 -0.600 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.704 0.182 -0.864 0.00 0.00 +0.005 C ATOM 34 C LIG 1 4.794 0.686 0.085 0.00 0.00 +0.003 C ATOM 35 C LIG 1 4.644 2.163 0.457 0.00 0.00 -0.014 C ATOM 36 C LIG 1 4.941 3.074 -0.737 0.00 0.00 +0.007 C ATOM 37 C LIG 1 3.260 2.460 1.061 0.00 0.00 +0.003 C ATOM 38 C LIG 1 2.216 1.365 0.819 0.00 0.00 +0.005 C ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 9