REMARK Name = BDB038695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.814 0.182 0.672 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -0.463 0.437 0.415 0.00 0.00 +0.052 A ATOM 3 C LIG 1 0.448 -0.610 0.423 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.057 -1.885 0.661 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -1.240 -2.151 0.945 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -2.190 -1.135 0.956 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.818 -0.414 0.181 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.491 0.790 0.020 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.098 1.940 0.068 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.899 0.453 -0.216 0.00 0.00 +0.045 A ATOM 11 C LIG 1 4.027 -0.924 -0.162 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.268 -1.468 -0.351 0.00 0.00 +0.117 A ATOM 13 N LIG 1 6.354 -0.696 -0.589 0.00 0.00 -0.257 NA ATOM 14 CA LIG 1 6.190 0.668 -0.638 0.00 0.00 +0.067 A ATOM 15 C LIG 1 4.965 1.293 -0.454 0.00 0.00 +0.039 A ATOM 16 C LIG 1 2.713 -1.559 0.110 0.00 0.00 +0.152 C BRANCH 14 17 ATOM 17 C LIG 1 7.429 1.494 -0.909 0.00 0.00 +0.211 C BRANCH 17 18 ATOM 18 O LIG 1 8.580 0.661 -1.050 0.00 0.00 -0.389 OA ATOM 19 H LIG 1 8.242 -0.253 -0.939 0.00 0.00 +0.210 HD ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 20 C LIG 1 -3.120 2.027 -0.492 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -2.812 1.267 0.662 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -3.474 1.584 1.866 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -4.400 2.628 1.935 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -4.682 3.388 0.800 0.00 0.00 +0.052 A ATOM 25 C LIG 1 -4.041 3.089 -0.405 0.00 0.00 +0.031 A BRANCH 20 28 ATOM 26 C LIG 1 -3.448 -0.499 -2.350 0.00 0.00 +0.152 C ATOM 27 N LIG 1 -2.644 0.669 -2.582 0.00 0.00 -0.317 N ATOM 28 C LIG 1 -2.504 1.788 -1.797 0.00 0.00 +0.164 A ATOM 29 N LIG 1 -1.760 2.656 -2.458 0.00 0.00 -0.129 NA ATOM 30 N LIG 1 -1.373 2.088 -3.648 0.00 0.00 -0.138 NA ATOM 31 C LIG 1 -1.909 0.894 -3.707 0.00 0.00 +0.225 A ENDBRANCH 20 28 BRANCH 24 32 ATOM 32 C LIG 1 -5.626 4.464 0.869 0.00 0.00 +0.099 C ATOM 33 N LIG 1 -6.404 5.323 0.932 0.00 0.00 -0.191 NA ENDBRANCH 24 32 ENDBRANCH 1 21 BRANCH 5 34 ATOM 34 C LIG 1 -1.636 -3.581 1.226 0.00 0.00 +0.038 C ATOM 35 C LIG 1 -2.179 -3.967 2.584 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -0.808 -4.416 2.176 0.00 0.00 +0.010 C ENDBRANCH 5 34 TORSDOF 7