REMARK Name = BDB015964 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.491 2.301 -0.387 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.575 1.355 -0.107 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.717 1.722 0.004 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -1.112 3.054 -0.142 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -0.092 3.943 -0.431 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.204 3.601 -0.568 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.626 0.121 -0.336 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.293 0.551 -0.221 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.900 1.875 -0.510 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.906 2.769 -0.918 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.237 2.362 -1.036 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.593 1.045 -0.747 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 4.471 -4.793 0.393 0.00 0.00 +0.172 C ATOM 14 N LIG 1 4.917 -3.426 0.282 0.00 0.00 -0.274 N ATOM 15 N LIG 1 6.206 -3.129 0.517 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 6.258 -1.807 0.328 0.00 0.00 +0.142 A ATOM 17 C LIG 1 5.007 -1.251 -0.032 0.00 0.00 +0.020 A ATOM 18 C LIG 1 4.160 -2.341 -0.053 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.480 3.513 0.008 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -3.088 4.472 -0.778 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.365 4.596 -0.310 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -5.393 5.476 -0.811 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.637 3.783 0.725 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.488 3.132 0.925 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.679 0.728 0.298 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.438 0.823 -0.372 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.165 -0.647 0.354 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -2.282 -1.611 0.800 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -1.795 -3.068 0.973 0.00 0.00 +0.133 C ATOM 30 C LIG 1 -2.019 -3.884 -0.311 0.00 0.00 +0.112 C ATOM 31 N LIG 1 -3.413 -3.949 -0.753 0.00 0.00 -0.314 NA ATOM 32 H LIG 1 -3.824 -4.850 -0.512 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 -4.251 -2.876 -0.217 0.00 0.00 +0.081 C ATOM 34 C LIG 1 -3.501 -1.549 -0.149 0.00 0.00 +0.023 C BRANCH 29 35 ATOM 35 O LIG 1 -0.429 -3.128 1.369 0.00 0.00 -0.390 OA ATOM 36 H LIG 1 -0.241 -4.046 1.632 0.00 0.00 +0.210 HD ENDBRANCH 29 35 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7