REMARK Name = BDB001870 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.570 -0.418 0.573 0.00 0.00 +0.100 A ATOM 2 C LIG 1 1.281 -0.314 -0.047 0.00 0.00 +0.016 A ATOM 3 C LIG 1 1.208 -0.363 -1.465 0.00 0.00 +0.063 A ATOM 4 C LIG 1 -0.087 -0.242 -2.065 0.00 0.00 +0.129 A ATOM 5 N LIG 1 -1.228 -0.088 -1.370 0.00 0.00 -0.216 NA ATOM 6 C LIG 1 -1.151 -0.062 -0.048 0.00 0.00 +0.134 A ATOM 7 N LIG 1 -2.229 0.082 0.842 0.00 0.00 -0.249 N ATOM 8 C LIG 1 -1.755 0.076 2.158 0.00 0.00 +0.226 C ATOM 9 O LIG 1 -2.397 0.183 3.191 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -0.246 -0.088 2.107 0.00 0.00 +0.135 C ATOM 11 C LIG 1 2.433 -0.534 -2.158 0.00 0.00 +0.129 A ATOM 12 N LIG 1 3.626 -0.632 -1.548 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 0.050 -0.166 0.639 0.00 0.00 +0.011 A ATOM 14 C LIG 1 3.724 -0.553 -0.209 0.00 0.00 +0.142 A ENDROOT BRANCH 7 15 ATOM 15 C LIG 1 -3.660 0.222 0.482 0.00 0.00 +0.044 C ATOM 16 C LIG 1 -3.973 0.201 -1.047 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -5.478 0.350 -1.329 0.00 0.00 -0.008 C ATOM 18 C LIG 1 -6.235 -0.807 -0.664 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -5.985 -0.786 0.849 0.00 0.00 -0.008 C ATOM 20 C LIG 1 -6.469 0.554 1.427 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -5.719 1.718 0.760 0.00 0.00 -0.008 C ATOM 22 C LIG 1 -5.970 1.684 -0.753 0.00 0.00 +0.007 C ATOM 23 C LIG 1 -4.479 -0.941 1.120 0.00 0.00 +0.030 C ATOM 24 C LIG 1 -4.212 1.572 1.031 0.00 0.00 +0.030 C ENDBRANCH 7 15 BRANCH 14 25 ATOM 25 N LIG 1 5.005 -0.647 0.345 0.00 0.00 -0.312 N ATOM 26 C LIG 1 5.997 -1.345 -0.502 0.00 0.00 +0.137 C ATOM 27 C LIG 1 7.387 -1.367 0.161 0.00 0.00 +0.132 C ATOM 28 C LIG 1 7.894 0.047 0.467 0.00 0.00 +0.034 C ATOM 29 C LIG 1 6.770 1.084 0.502 0.00 0.00 +0.021 C ATOM 30 C LIG 1 5.487 0.517 1.104 0.00 0.00 +0.107 C BRANCH 27 31 ATOM 31 O LIG 1 7.343 -2.132 1.371 0.00 0.00 -0.390 OA ATOM 32 H LIG 1 8.242 -2.159 1.739 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 14 25 BRANCH 4 33 ATOM 33 N LIG 1 -0.288 -0.181 -3.447 0.00 0.00 -0.343 N ATOM 34 H LIG 1 0.060 0.695 -3.821 0.00 0.00 +0.144 HD ATOM 35 H LIG 1 0.122 -0.974 -3.923 0.00 0.00 +0.144 HD ENDBRANCH 4 33 BRANCH 11 36 ATOM 36 N LIG 1 2.519 -0.710 -3.542 0.00 0.00 -0.343 N ATOM 37 H LIG 1 2.151 -1.617 -3.807 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 2.058 0.034 -4.048 0.00 0.00 +0.144 HD ENDBRANCH 11 36 BRANCH 1 40 ATOM 39 N LIG 1 2.785 -0.403 3.160 0.00 0.00 -0.191 NA ATOM 40 C LIG 1 2.709 -0.431 2.001 0.00 0.00 +0.103 C ENDBRANCH 1 40 TORSDOF 6