REMARK Name = BDB026688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.386 -2.895 0.551 0.00 0.00 +0.039 A ATOM 2 C LIG 1 2.301 -3.152 -0.297 0.00 0.00 +0.043 A ATOM 3 C LIG 1 1.333 -2.155 -0.482 0.00 0.00 +0.091 A ATOM 4 N LIG 1 0.231 -2.180 -1.288 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -0.373 -1.018 -1.120 0.00 0.00 +0.147 A ATOM 6 N LIG 1 0.325 -0.210 -0.216 0.00 0.00 -0.292 N ATOM 7 C LIG 1 1.435 -0.945 0.198 0.00 0.00 +0.074 A ATOM 8 C LIG 1 2.528 -0.665 1.037 0.00 0.00 +0.029 A ATOM 9 C LIG 1 3.493 -1.666 1.212 0.00 0.00 +0.015 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -0.026 1.103 0.213 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -0.548 2.031 -0.700 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -0.929 3.307 -0.266 0.00 0.00 -0.024 A ATOM 13 C LIG 1 -1.407 4.348 -1.240 0.00 0.00 +0.046 C ATOM 14 C LIG 1 -2.360 5.327 -0.575 0.00 0.00 +0.101 C ATOM 15 C LIG 1 -1.821 5.836 0.742 0.00 0.00 +0.218 C ATOM 16 N LIG 1 -1.136 4.932 1.510 0.00 0.00 -0.285 N ATOM 17 H LIG 1 -0.907 5.238 2.447 0.00 0.00 +0.155 HD ATOM 18 O LIG 1 -2.057 6.968 1.156 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -0.772 3.654 1.079 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.235 2.745 1.987 0.00 0.00 +0.025 A ATOM 21 C LIG 1 0.131 1.467 1.557 0.00 0.00 +0.028 A ENDBRANCH 6 10 BRANCH 5 22 ATOM 22 C LIG 1 -1.680 -0.721 -1.714 0.00 0.00 +0.030 A ATOM 23 C LIG 1 -2.858 -0.594 -0.956 0.00 0.00 +0.047 A ATOM 24 C LIG 1 -4.058 -0.226 -1.584 0.00 0.00 +0.014 A ATOM 25 C LIG 1 -4.103 -0.035 -2.966 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -2.952 -0.215 -3.729 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -1.749 -0.559 -3.109 0.00 0.00 +0.012 A BRANCH 23 28 ATOM 28 C LIG 1 -2.921 -0.835 0.511 0.00 0.00 +0.245 C ATOM 29 N LIG 1 -2.235 -1.935 0.978 0.00 0.00 -0.314 N ATOM 30 H LIG 1 -1.839 -2.592 0.313 0.00 0.00 +0.149 HD ATOM 31 C LIG 1 -2.311 -2.333 2.360 0.00 0.00 +0.128 C ATOM 32 O LIG 1 -3.592 -0.096 1.222 0.00 0.00 -0.270 OA ENDBRANCH 23 28 ENDBRANCH 5 22 BRANCH 1 36 ATOM 33 C LIG 1 6.764 -4.515 1.053 0.00 0.00 +0.128 C ATOM 34 N LIG 1 5.691 -3.554 0.986 0.00 0.00 -0.314 N ATOM 35 H LIG 1 5.935 -2.593 0.795 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 4.399 -3.970 0.733 0.00 0.00 +0.244 C ATOM 37 O LIG 1 4.072 -5.146 0.626 0.00 0.00 -0.270 OA ENDBRANCH 1 36 TORSDOF 4