REMARK Name = BDB007736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.696 -0.387 -2.588 0.00 0.00 +0.244 C ATOM 2 N LIG 1 1.048 -1.653 -2.180 0.00 0.00 -0.309 N ATOM 3 H LIG 1 0.487 -2.125 -1.482 0.00 0.00 +0.149 HD ATOM 4 O LIG 1 1.450 0.379 -3.178 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 -2.992 -0.358 -1.741 0.00 0.00 +0.119 A ATOM 6 N LIG 1 -3.217 0.959 -1.583 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 -2.193 1.819 -1.778 0.00 0.00 +0.113 A ATOM 8 C LIG 1 -0.916 1.423 -2.111 0.00 0.00 +0.033 A ATOM 9 C LIG 1 -0.678 0.059 -2.241 0.00 0.00 +0.041 A ATOM 10 C LIG 1 -1.729 -0.843 -2.064 0.00 0.00 +0.056 A BRANCH 5 11 ATOM 11 N LIG 1 -4.019 -1.293 -1.538 0.00 0.00 -0.329 N ATOM 12 H LIG 1 -4.060 -1.905 -2.349 0.00 0.00 +0.147 HD BRANCH 11 13 ATOM 13 C LIG 1 -5.345 -0.767 -1.201 0.00 0.00 +0.107 C BRANCH 13 17 ATOM 14 C LIG 1 -4.399 1.088 3.319 0.00 0.00 +0.104 C ATOM 15 N LIG 1 -5.426 0.576 2.417 0.00 0.00 -0.305 NA ATOM 16 C LIG 1 -4.860 0.282 1.084 0.00 0.00 +0.089 C ATOM 17 C LIG 1 -5.599 -0.835 0.314 0.00 0.00 +0.020 C ATOM 18 C LIG 1 -7.099 -0.768 0.623 0.00 0.00 +0.007 C ATOM 19 C LIG 1 -7.358 -0.901 2.128 0.00 0.00 +0.016 C ATOM 20 C LIG 1 -6.133 -0.566 2.987 0.00 0.00 +0.084 C ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 5 11 ENDBRANCH 1 9 BRANCH 2 21 ATOM 21 C LIG 1 2.405 -2.169 -2.312 0.00 0.00 +0.137 C BRANCH 21 22 ATOM 22 C LIG 1 3.150 -2.184 -0.965 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 O LIG 1 2.301 -2.809 0.018 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 2.802 -2.835 0.852 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 3.573 -0.778 -0.481 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 4.598 -0.150 -1.328 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 4.627 1.314 -1.152 0.00 0.00 +0.120 C ATOM 28 C LIG 1 5.309 1.782 0.117 0.00 0.00 -0.030 A ATOM 29 C LIG 1 6.271 0.980 0.756 0.00 0.00 -0.042 A ATOM 30 C LIG 1 6.918 1.453 1.906 0.00 0.00 +0.004 A ATOM 31 C LIG 1 6.628 2.722 2.405 0.00 0.00 +0.000 A ATOM 32 C LIG 1 5.688 3.526 1.764 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.564 -0.410 0.246 0.00 0.00 +0.051 C ATOM 34 C LIG 1 5.035 3.061 0.623 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.955 -0.685 -1.138 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 9