REMARK Name = BDB011743 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.620 -0.011 0.191 0.00 0.00 +0.177 C ATOM 2 C LIG 1 1.701 1.225 0.173 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.871 2.133 0.995 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.741 1.290 -0.837 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.473 0.178 -1.701 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.312 -1.128 -1.184 0.00 0.00 +0.058 A ATOM 7 N LIG 1 0.502 -1.394 0.208 0.00 0.00 -0.267 N ATOM 8 C LIG 1 -0.301 -2.345 0.855 0.00 0.00 +0.220 C ATOM 9 C LIG 1 -1.763 -1.939 0.872 0.00 0.00 +0.098 C ATOM 10 C LIG 1 -2.791 -3.051 0.946 0.00 0.00 +0.028 C ATOM 11 C LIG 1 -4.217 -2.486 0.812 0.00 0.00 +0.108 C ATOM 12 N LIG 1 -4.741 -1.816 2.015 0.00 0.00 -0.301 N ATOM 13 C LIG 1 -4.743 -0.439 2.283 0.00 0.00 +0.246 C ATOM 14 C LIG 1 -3.996 0.472 1.396 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -4.459 0.807 0.127 0.00 0.00 +0.021 A ATOM 16 C LIG 1 -3.638 1.537 -0.749 0.00 0.00 -0.017 A ATOM 17 C LIG 1 -2.321 1.900 -0.364 0.00 0.00 -0.010 A ATOM 18 C LIG 1 -1.448 2.472 -1.337 0.00 0.00 +0.020 A ATOM 19 C LIG 1 -1.967 2.862 -2.594 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -3.291 2.568 -2.920 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -1.944 1.660 0.976 0.00 0.00 +0.010 A ATOM 22 C LIG 1 -4.105 1.882 -2.020 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -2.786 0.986 1.859 0.00 0.00 +0.013 A ATOM 24 O LIG 1 -5.277 0.069 3.266 0.00 0.00 -0.270 OA ATOM 25 C LIG 1 -5.354 -2.689 3.007 0.00 0.00 +0.132 C ATOM 26 O LIG 1 0.129 -3.288 1.513 0.00 0.00 -0.275 OA ATOM 27 C LIG 1 -0.077 -2.174 -2.038 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -0.275 -1.944 -3.398 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -0.093 -0.667 -3.917 0.00 0.00 +0.002 A ATOM 30 C LIG 1 0.275 0.384 -3.074 0.00 0.00 +0.025 A ATOM 31 C LIG 1 0.053 2.585 -1.070 0.00 0.00 +0.153 C ATOM 32 C LIG 1 1.871 -1.247 0.692 0.00 0.00 +0.145 C ENDROOT BRANCH 1 34 ATOM 33 C LIG 1 4.936 -0.428 0.991 0.00 0.00 +0.230 C ATOM 34 N LIG 1 3.776 0.305 1.035 0.00 0.00 -0.301 N ATOM 35 H LIG 1 3.698 1.136 1.615 0.00 0.00 +0.150 HD ATOM 36 O LIG 1 5.033 -1.438 0.293 0.00 0.00 -0.274 OA BRANCH 33 37 ATOM 37 C LIG 1 6.067 0.047 1.940 0.00 0.00 +0.137 C ATOM 38 C LIG 1 6.387 1.528 1.750 0.00 0.00 +0.034 C BRANCH 37 40 ATOM 39 C LIG 1 8.036 -1.046 2.863 0.00 0.00 +0.101 C ATOM 40 N LIG 1 7.287 -0.741 1.653 0.00 0.00 -0.309 NA ATOM 41 H LIG 1 6.992 -1.619 1.210 0.00 0.00 +0.122 HD ENDBRANCH 37 40 ENDBRANCH 33 37 ENDBRANCH 1 34 BRANCH 19 42 ATOM 42 O LIG 1 -1.095 3.497 -3.441 0.00 0.00 -0.495 OA ATOM 43 C LIG 1 -1.625 4.050 -4.640 0.00 0.00 +0.277 C ENDBRANCH 19 42 TORSDOF 4