REMARK Name = BDB022456 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.314 -2.271 0.090 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.081 -1.652 -0.191 0.00 0.00 +0.013 A ATOM 3 C LIG 1 0.114 -2.064 0.427 0.00 0.00 -0.016 A ATOM 4 C LIG 1 0.050 -3.119 1.350 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -1.164 -3.739 1.645 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -2.336 -3.319 1.020 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 1.390 -1.406 0.116 0.00 0.00 +0.000 A ATOM 8 C LIG 1 2.517 -2.125 -0.277 0.00 0.00 +0.121 A ATOM 9 N LIG 1 3.721 -1.579 -0.583 0.00 0.00 -0.240 NA ATOM 10 C LIG 1 3.832 -0.236 -0.499 0.00 0.00 +0.125 A ATOM 11 C LIG 1 2.775 0.574 -0.114 0.00 0.00 +0.044 A ATOM 12 C LIG 1 1.548 -0.019 0.194 0.00 0.00 +0.013 A BRANCH 10 13 ATOM 13 N LIG 1 5.104 0.230 -0.827 0.00 0.00 -0.267 N ATOM 14 H LIG 1 5.722 -0.527 -1.076 0.00 0.00 +0.157 HD ATOM 15 C LIG 1 5.536 1.524 -0.898 0.00 0.00 +0.242 C ATOM 16 O LIG 1 4.868 2.539 -0.743 0.00 0.00 -0.270 OA BRANCH 15 17 ATOM 17 C LIG 1 6.971 1.681 -1.271 0.00 0.00 +0.065 C ATOM 18 C LIG 1 7.954 0.815 -0.974 0.00 0.00 -0.000 C BRANCH 18 19 ATOM 19 C LIG 1 9.394 1.050 -1.328 0.00 0.00 +0.150 C BRANCH 19 20 ATOM 20 N LIG 1 10.249 1.015 -0.154 0.00 0.00 -0.333 N ATOM 21 C LIG 1 11.074 -0.013 0.205 0.00 0.00 +0.199 A ATOM 22 N LIG 1 11.731 0.264 1.309 0.00 0.00 -0.244 NA ATOM 23 C LIG 1 11.315 1.519 1.672 0.00 0.00 +0.130 A ATOM 24 C LIG 1 10.396 2.009 0.773 0.00 0.00 +0.107 A ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 -4.231 -2.928 -1.425 0.00 0.00 +0.022 C ATOM 26 C LIG 1 -3.577 -1.802 -0.618 0.00 0.00 +0.102 C BRANCH 26 27 ATOM 27 C LIG 1 -4.624 -1.166 0.315 0.00 0.00 +0.225 C ATOM 28 N LIG 1 -5.402 -0.233 -0.356 0.00 0.00 -0.268 N ATOM 29 H LIG 1 -5.210 -0.039 -1.327 0.00 0.00 +0.156 HD ATOM 30 O LIG 1 -4.743 -1.508 1.487 0.00 0.00 -0.275 OA BRANCH 28 31 ATOM 31 C LIG 1 -6.442 0.486 0.195 0.00 0.00 +0.147 A ATOM 32 N LIG 1 -6.877 0.387 1.452 0.00 0.00 -0.158 NA ATOM 33 N LIG 1 -7.884 1.266 1.536 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -8.368 1.363 2.422 0.00 0.00 +0.189 HD ATOM 35 C LIG 1 -8.120 1.922 0.367 0.00 0.00 +0.041 A ATOM 36 C LIG 1 -7.197 1.445 -0.529 0.00 0.00 +0.068 A BRANCH 35 37 ATOM 37 C LIG 1 -9.190 3.005 0.123 0.00 0.00 +0.037 C ATOM 38 C LIG 1 -10.634 2.673 0.391 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -10.153 2.839 -1.022 0.00 0.00 +0.010 C ENDBRANCH 35 37 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9