REMARK Name = BDB057715 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.360 -0.920 -3.286 0.00 0.00 +0.075 A ATOM 2 N LIG 1 0.071 -1.328 -3.006 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -0.435 -1.911 -4.130 0.00 0.00 +0.178 A ATOM 4 C LIG 1 -1.798 -2.416 -4.102 0.00 0.00 +0.160 A ATOM 5 N LIG 1 -2.527 -2.293 -3.012 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 -1.963 -1.705 -1.886 0.00 0.00 +0.063 A ATOM 7 N LIG 1 0.429 -1.920 -5.124 0.00 0.00 -0.232 NA ATOM 8 C LIG 1 -0.699 -1.238 -1.867 0.00 0.00 +0.117 A ATOM 9 C LIG 1 1.556 -1.323 -4.597 0.00 0.00 +0.140 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.840 -1.583 -0.644 0.00 0.00 +0.043 C ATOM 11 C LIG 1 -2.205 -2.333 0.568 0.00 0.00 +0.032 C ATOM 12 C LIG 1 -2.622 -1.757 1.931 0.00 0.00 +0.077 C ATOM 13 N LIG 1 -2.405 -0.323 1.893 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -3.496 0.214 1.091 0.00 0.00 +0.077 C ATOM 15 C LIG 1 -4.713 -0.590 1.568 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -1.115 0.203 2.033 0.00 0.00 +0.284 C ATOM 17 O LIG 1 -0.193 -0.531 2.397 0.00 0.00 -0.267 OA ATOM 18 C LIG 1 -4.130 -1.880 2.152 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -3.174 -0.083 -0.380 0.00 0.00 +0.032 C BRANCH 16 20 ATOM 20 C LIG 1 -0.861 1.593 1.702 0.00 0.00 +0.217 A ATOM 21 N LIG 1 0.389 2.148 1.577 0.00 0.00 -0.324 N ATOM 22 H LIG 1 1.286 1.683 1.682 0.00 0.00 +0.168 HD ATOM 23 C LIG 1 0.196 3.445 1.211 0.00 0.00 +0.222 A ATOM 24 N LIG 1 -1.089 3.699 1.150 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -1.754 2.535 1.462 0.00 0.00 -0.125 NA ENDBRANCH 16 20 ENDBRANCH 6 10 BRANCH 1 29 ATOM 26 C LIG 1 3.529 0.806 -0.133 0.00 0.00 +0.091 A ATOM 27 N LIG 1 2.446 1.460 -0.624 0.00 0.00 -0.253 NA ATOM 28 C LIG 1 1.832 0.921 -1.699 0.00 0.00 +0.121 A ATOM 29 C LIG 1 2.217 -0.272 -2.306 0.00 0.00 +0.018 A ATOM 30 C LIG 1 3.370 -0.892 -1.827 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.039 -0.347 -0.727 0.00 0.00 +0.030 A BRANCH 26 35 ATOM 32 C LIG 1 3.664 2.995 4.176 0.00 0.00 +0.172 C ATOM 33 N LIG 1 4.164 2.286 3.022 0.00 0.00 -0.274 N ATOM 34 N LIG 1 3.317 1.956 2.032 0.00 0.00 -0.170 NA ATOM 35 C LIG 1 4.090 1.336 1.117 0.00 0.00 +0.111 A ATOM 36 C LIG 1 5.437 1.271 1.570 0.00 0.00 +0.051 A ATOM 37 C LIG 1 5.447 1.891 2.796 0.00 0.00 +0.108 A ENDBRANCH 26 35 ENDBRANCH 1 29 BRANCH 4 38 ATOM 38 N LIG 1 -2.377 -3.008 -5.193 0.00 0.00 -0.340 N ATOM 39 H LIG 1 -1.952 -2.751 -6.078 0.00 0.00 +0.144 HD ATOM 40 H LIG 1 -3.388 -2.969 -5.175 0.00 0.00 +0.144 HD ENDBRANCH 4 38 TORSDOF 5