REMARK Name = BDB034775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.575 -0.209 -0.480 0.00 0.00 -0.299 N ATOM 2 H LIG 1 -0.377 0.788 -0.422 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 C LIG 1 4.492 -4.017 1.588 0.00 0.00 +0.154 C ATOM 4 N LIG 1 4.150 -2.873 0.795 0.00 0.00 -0.295 N ATOM 5 C LIG 1 2.854 -2.380 0.604 0.00 0.00 +0.070 A ATOM 6 C LIG 1 2.939 -1.247 -0.204 0.00 0.00 +0.072 A ATOM 7 C LIG 1 1.820 -0.522 -0.560 0.00 0.00 +0.051 A ATOM 8 C LIG 1 0.568 -0.950 -0.080 0.00 0.00 +0.034 A ATOM 9 C LIG 1 0.500 -2.112 0.727 0.00 0.00 +0.025 A ATOM 10 N LIG 1 4.290 -1.048 -0.525 0.00 0.00 -0.292 N ATOM 11 C LIG 1 1.647 -2.836 1.081 0.00 0.00 +0.030 A ATOM 12 C LIG 1 5.064 -2.042 0.113 0.00 0.00 +0.330 A ATOM 13 O LIG 1 6.281 -2.150 0.088 0.00 0.00 -0.246 OA BRANCH 10 14 ATOM 14 C LIG 1 4.824 0.057 -1.284 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 5.131 1.259 -0.386 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 5.616 2.502 -1.152 0.00 0.00 +0.062 C ATOM 17 C LIG 1 6.904 2.243 -1.937 0.00 0.00 +0.041 C ATOM 18 C LIG 1 5.826 3.661 -0.171 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 4.593 2.886 -2.074 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 4.897 3.682 -2.544 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 10 14 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.911 -0.518 -0.221 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -2.468 -1.749 -0.660 0.00 0.00 -0.199 N ATOM 23 C LIG 1 -3.825 -2.035 -0.437 0.00 0.00 +0.177 A ATOM 24 C LIG 1 -4.048 -3.282 -0.978 0.00 0.00 +0.116 A ATOM 25 C LIG 1 -2.822 -3.682 -1.516 0.00 0.00 +0.156 A ATOM 26 N LIG 1 -4.664 -1.165 0.196 0.00 0.00 -0.212 NA ATOM 27 C LIG 1 -4.171 -0.014 0.582 0.00 0.00 +0.127 A ATOM 28 N LIG 1 -1.865 -2.772 -1.342 0.00 0.00 -0.170 NA ATOM 29 C LIG 1 -2.738 0.364 0.367 0.00 0.00 +0.087 A BRANCH 27 30 ATOM 30 N LIG 1 -4.995 0.905 1.220 0.00 0.00 -0.310 N ATOM 31 C LIG 1 -5.772 1.830 0.348 0.00 0.00 +0.100 C ATOM 32 C LIG 1 -7.040 2.135 1.150 0.00 0.00 +0.026 C ATOM 33 C LIG 1 -7.297 0.820 1.853 0.00 0.00 +0.021 C ATOM 34 C LIG 1 -5.897 0.404 2.278 0.00 0.00 +0.107 C BRANCH 31 35 ATOM 35 C LIG 1 -4.994 3.112 0.017 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 O LIG 1 -3.947 2.881 -0.927 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -4.337 2.440 -1.702 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 27 30 BRANCH 24 38 ATOM 38 C LIG 1 -5.276 -3.996 -0.990 0.00 0.00 +0.104 C ATOM 39 N LIG 1 -6.262 -4.609 -1.018 0.00 0.00 -0.191 NA ENDBRANCH 24 38 ENDBRANCH 1 21 TORSDOF 10