REMARK Name = BDB011806 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.617 2.123 -1.011 0.00 0.00 +0.177 C ATOM 2 C LIG 1 -0.532 1.603 -0.139 0.00 0.00 +0.242 C ATOM 3 O LIG 1 -1.233 2.387 0.512 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -0.765 0.226 -0.167 0.00 0.00 -0.264 N ATOM 5 C LIG 1 0.093 -0.677 -0.877 0.00 0.00 +0.058 A ATOM 6 C LIG 1 1.502 -0.614 -0.794 0.00 0.00 +0.058 A ATOM 7 C LIG 1 2.278 -1.549 -1.506 0.00 0.00 +0.025 A ATOM 8 C LIG 1 1.678 -2.532 -2.289 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.295 -2.585 -2.385 0.00 0.00 +0.002 A ATOM 10 N LIG 1 2.160 0.362 0.014 0.00 0.00 -0.263 N ATOM 11 C LIG 1 3.335 0.081 0.736 0.00 0.00 +0.252 C ATOM 12 O LIG 1 4.214 0.912 0.947 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -0.486 -1.661 -1.692 0.00 0.00 +0.025 A ATOM 14 C LIG 1 1.923 1.782 -0.289 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 3.490 -1.263 1.350 0.00 0.00 +0.048 A ATOM 16 C LIG 1 4.747 -1.899 1.333 0.00 0.00 +0.032 A ATOM 17 C LIG 1 4.871 -3.159 1.914 0.00 0.00 +0.066 A ATOM 18 N LIG 1 6.182 -3.514 1.728 0.00 0.00 -0.277 N ATOM 19 H LIG 1 6.639 -4.366 2.031 0.00 0.00 +0.189 HD ATOM 20 N LIG 1 6.910 -2.601 1.064 0.00 0.00 -0.181 NA ATOM 21 C LIG 1 3.809 -3.821 2.538 0.00 0.00 +0.028 A ATOM 22 C LIG 1 2.576 -3.162 2.573 0.00 0.00 +0.003 A ATOM 23 C LIG 1 6.042 -1.609 0.847 0.00 0.00 +0.143 A ATOM 24 C LIG 1 2.416 -1.901 1.996 0.00 0.00 +0.014 A ENDBRANCH 11 15 BRANCH 1 26 ATOM 25 C LIG 1 0.820 4.603 -0.578 0.00 0.00 +0.230 C ATOM 26 N LIG 1 0.351 3.536 -1.325 0.00 0.00 -0.301 N ATOM 27 H LIG 1 -0.566 3.698 -1.721 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 1.806 4.545 0.144 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 -0.025 5.885 -0.777 0.00 0.00 +0.137 C ATOM 30 C LIG 1 0.531 7.045 0.038 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 -2.386 5.811 -1.405 0.00 0.00 +0.101 C ATOM 32 N LIG 1 -1.415 5.626 -0.344 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 -1.498 4.698 0.086 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 1 26 BRANCH 4 34 ATOM 34 C LIG 1 -1.682 -0.327 0.846 0.00 0.00 +0.149 C BRANCH 34 35 ATOM 35 C LIG 1 -2.850 -1.168 0.350 0.00 0.00 -0.019 A ATOM 36 C LIG 1 -2.867 -2.595 0.534 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -3.991 -3.328 0.076 0.00 0.00 -0.018 A ATOM 38 C LIG 1 -4.050 -4.723 0.232 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -3.010 -5.425 0.832 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -1.893 -4.738 1.279 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -5.055 -2.667 -0.542 0.00 0.00 +0.009 A ATOM 42 C LIG 1 -5.034 -1.289 -0.723 0.00 0.00 +0.004 A ATOM 43 C LIG 1 -1.823 -3.350 1.131 0.00 0.00 +0.009 A ATOM 44 C LIG 1 -3.948 -0.525 -0.283 0.00 0.00 -0.045 A ATOM 45 C LIG 1 -3.994 0.963 -0.513 0.00 0.00 +0.044 C ENDBRANCH 34 35 ENDBRANCH 4 34 TORSDOF 6