REMARK Name = BDB014192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.142 0.398 1.501 0.00 0.00 -0.312 N ATOM 2 C LIG 1 2.384 1.580 1.049 0.00 0.00 +0.125 C ATOM 3 C LIG 1 0.876 1.295 0.874 0.00 0.00 +0.127 C ATOM 4 N LIG 1 0.271 0.651 2.047 0.00 0.00 -0.295 N ATOM 5 C LIG 1 -0.972 0.957 2.587 0.00 0.00 +0.247 C ATOM 6 O LIG 1 -1.322 0.603 3.710 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 1.145 -0.247 2.809 0.00 0.00 +0.127 C ATOM 8 C LIG 1 2.345 -0.745 1.988 0.00 0.00 +0.125 C ENDROOT BRANCH 1 16 ATOM 9 C LIG 1 7.927 -3.656 -1.957 0.00 0.00 +0.086 C ATOM 10 C LIG 1 7.107 -2.607 -1.310 0.00 0.00 +0.107 A ATOM 11 N LIG 1 7.494 -1.288 -1.279 0.00 0.00 -0.341 N ATOM 12 H LIG 1 8.345 -0.913 -1.672 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 6.533 -0.580 -0.610 0.00 0.00 +0.085 A ATOM 14 C LIG 1 5.589 -1.530 -0.255 0.00 0.00 +0.180 A ATOM 15 N LIG 1 4.471 -1.242 0.438 0.00 0.00 -0.211 NA ATOM 16 C LIG 1 4.287 0.049 0.771 0.00 0.00 +0.124 A ATOM 17 C LIG 1 5.225 1.044 0.448 0.00 0.00 +0.046 A ATOM 18 C LIG 1 6.388 0.753 -0.269 0.00 0.00 +0.033 A ATOM 19 N LIG 1 5.954 -2.773 -0.695 0.00 0.00 -0.213 NA ENDBRANCH 1 16 BRANCH 5 20 ATOM 20 C LIG 1 -1.933 1.749 1.785 0.00 0.00 +0.037 A ATOM 21 C LIG 1 -2.272 1.370 0.479 0.00 0.00 +0.017 A ATOM 22 C LIG 1 -3.205 2.119 -0.255 0.00 0.00 -0.041 A ATOM 23 C LIG 1 -3.780 3.254 0.339 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -3.459 3.615 1.650 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -2.544 2.857 2.378 0.00 0.00 +0.013 A BRANCH 22 26 ATOM 26 C LIG 1 -3.551 1.755 -1.682 0.00 0.00 +0.093 C BRANCH 26 27 ATOM 27 C LIG 1 -3.787 0.268 -1.904 0.00 0.00 +0.074 A ATOM 28 C LIG 1 -5.068 -0.354 -1.484 0.00 0.00 +0.011 A ATOM 29 C LIG 1 -5.225 -1.716 -1.735 0.00 0.00 +0.050 A ATOM 30 C LIG 1 -6.405 -2.377 -1.376 0.00 0.00 +0.014 A ATOM 31 C LIG 1 -7.433 -1.670 -0.755 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -7.279 -0.310 -0.494 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -4.132 -2.458 -2.382 0.00 0.00 +0.272 A ATOM 34 O LIG 1 -4.231 -3.655 -2.630 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -3.007 -1.733 -2.685 0.00 0.00 -0.242 N ATOM 36 H LIG 1 -2.241 -2.231 -3.129 0.00 0.00 +0.192 HD ATOM 37 C LIG 1 -6.102 0.350 -0.857 0.00 0.00 +0.010 A ATOM 38 N LIG 1 -2.825 -0.404 -2.467 0.00 0.00 -0.175 NA ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 5 20 TORSDOF 4