REMARK Name = BDB003762 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.382 1.696 0.202 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.871 2.317 0.830 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -2.308 0.875 -0.433 0.00 0.00 +0.221 A ATOM 4 N LIG 1 -3.584 1.087 -0.087 0.00 0.00 -0.195 NA ATOM 5 C LIG 1 -4.568 0.325 -0.636 0.00 0.00 +0.163 A ATOM 6 N LIG 1 -5.902 0.598 -0.241 0.00 0.00 -0.326 N ATOM 7 C LIG 1 -6.696 -0.433 0.300 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -6.957 -1.597 -0.433 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -6.542 -1.778 -1.843 0.00 0.00 +0.261 A ATOM 10 N LIG 1 -5.263 -1.428 -2.293 0.00 0.00 -0.307 N ATOM 11 C LIG 1 -4.894 -1.922 -3.620 0.00 0.00 +0.152 C ATOM 12 O LIG 1 -7.348 -2.363 -2.573 0.00 0.00 -0.267 OA ATOM 13 C LIG 1 -7.743 -2.631 0.119 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -8.260 -2.530 1.407 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.007 -1.387 2.150 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -7.239 -0.355 1.602 0.00 0.00 +0.026 A ATOM 17 C LIG 1 -6.060 1.937 0.337 0.00 0.00 +0.151 C ATOM 18 C LIG 1 -4.286 -0.663 -1.577 0.00 0.00 +0.106 A ATOM 19 C LIG 1 -2.935 -0.788 -1.864 0.00 0.00 +0.144 A ATOM 20 N LIG 1 -1.946 -0.056 -1.312 0.00 0.00 -0.220 NA ENDBRANCH 1 3 BRANCH 1 24 ATOM 21 C LIG 1 2.807 2.210 0.082 0.00 0.00 +0.037 A ATOM 22 C LIG 1 2.205 1.307 -0.795 0.00 0.00 +0.015 A ATOM 23 C LIG 1 0.817 1.123 -0.765 0.00 0.00 +0.024 A ATOM 24 C LIG 1 0.006 1.846 0.117 0.00 0.00 +0.034 A ATOM 25 C LIG 1 0.633 2.768 0.975 0.00 0.00 +0.024 A ATOM 26 C LIG 1 2.018 2.958 0.955 0.00 0.00 +0.015 A BRANCH 21 31 ATOM 27 N LIG 1 7.035 -0.912 0.419 0.00 0.00 -0.300 NA ATOM 28 C LIG 1 5.885 -0.732 1.324 0.00 0.00 +0.103 C ATOM 29 C LIG 1 4.724 0.021 0.649 0.00 0.00 +0.123 C ATOM 30 N LIG 1 5.125 1.346 0.164 0.00 0.00 -0.295 N ATOM 31 C LIG 1 4.270 2.439 0.065 0.00 0.00 +0.247 C ATOM 32 O LIG 1 4.668 3.599 -0.029 0.00 0.00 -0.270 OA ATOM 33 C LIG 1 6.563 1.585 0.077 0.00 0.00 +0.123 C ATOM 34 C LIG 1 7.358 0.326 -0.325 0.00 0.00 +0.103 C BRANCH 27 36 ATOM 35 C LIG 1 9.214 -2.072 0.169 0.00 0.00 +0.020 C ATOM 36 C LIG 1 8.184 -1.483 1.127 0.00 0.00 +0.081 C ENDBRANCH 27 36 ENDBRANCH 21 31 ENDBRANCH 1 24 TORSDOF 4