REMARK Name = BDB011738 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.130 -1.528 0.950 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.346 -1.238 0.753 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.113 -2.201 0.579 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.831 0.075 0.733 0.00 0.00 -0.259 N ATOM 5 C LIG 1 0.201 1.310 1.227 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -1.118 1.468 1.750 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -1.543 2.744 2.210 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.746 3.877 2.129 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.521 3.754 1.611 0.00 0.00 +0.002 A ATOM 10 N LIG 1 -2.063 0.418 1.942 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -3.462 0.532 1.823 0.00 0.00 +0.251 C ATOM 12 O LIG 1 -4.247 -0.256 2.349 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 0.979 2.501 1.187 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.547 -0.897 2.254 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 -4.058 1.577 0.947 0.00 0.00 +0.037 A ATOM 16 C LIG 1 -3.527 1.868 -0.314 0.00 0.00 +0.014 A ATOM 17 C LIG 1 -4.130 2.840 -1.117 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -5.282 3.511 -0.680 0.00 0.00 +0.017 A ATOM 19 C LIG 1 -5.830 3.196 0.570 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -5.223 2.226 1.376 0.00 0.00 +0.014 A BRANCH 18 21 ATOM 21 C LIG 1 -5.886 4.542 -1.576 0.00 0.00 +0.160 C ATOM 22 O LIG 1 -5.294 4.886 -2.597 0.00 0.00 -0.292 OA ATOM 23 C LIG 1 -7.212 5.149 -1.201 0.00 0.00 +0.091 C ENDBRANCH 18 21 ENDBRANCH 11 15 BRANCH 1 25 ATOM 24 C LIG 1 -1.674 -3.631 -0.219 0.00 0.00 +0.230 C ATOM 25 N LIG 1 -1.339 -2.983 0.954 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -0.737 -3.492 1.589 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -2.040 -3.016 -1.222 0.00 0.00 -0.274 OA BRANCH 24 28 ATOM 28 C LIG 1 -1.661 -5.186 -0.156 0.00 0.00 +0.137 C ATOM 29 C LIG 1 -0.435 -5.771 0.543 0.00 0.00 +0.034 C BRANCH 28 31 ATOM 30 C LIG 1 -0.693 -5.665 -2.376 0.00 0.00 +0.101 C ATOM 31 N LIG 1 -1.867 -5.755 -1.514 0.00 0.00 -0.309 NA ATOM 32 H LIG 1 -2.610 -5.197 -1.948 0.00 0.00 +0.122 HD ENDBRANCH 28 31 ENDBRANCH 24 28 ENDBRANCH 1 25 BRANCH 4 33 ATOM 33 C LIG 1 2.245 0.127 0.286 0.00 0.00 +0.209 C BRANCH 33 34 ATOM 34 C LIG 1 3.227 0.035 1.459 0.00 0.00 +0.236 C ATOM 35 N LIG 1 4.576 0.033 1.290 0.00 0.00 -0.263 N ATOM 36 H LIG 1 5.084 -0.042 2.164 0.00 0.00 +0.157 HD ATOM 37 O LIG 1 2.820 -0.021 2.628 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 C LIG 1 5.408 0.094 0.207 0.00 0.00 +0.165 A ATOM 39 S LIG 1 4.882 0.220 -1.400 0.00 0.00 -0.052 S ATOM 40 C LIG 1 6.510 0.230 -1.950 0.00 0.00 +0.041 A ATOM 41 C LIG 1 7.353 0.140 -0.842 0.00 0.00 +0.080 A ATOM 42 C LIG 1 8.747 0.131 -1.048 0.00 0.00 +0.029 A ATOM 43 C LIG 1 9.257 0.212 -2.349 0.00 0.00 +0.002 A ATOM 44 C LIG 1 8.396 0.300 -3.439 0.00 0.00 +0.001 A ATOM 45 C LIG 1 7.010 0.311 -3.260 0.00 0.00 +0.017 A ATOM 46 N LIG 1 6.707 0.067 0.381 0.00 0.00 -0.225 NA ENDBRANCH 35 38 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 8