REMARK Name = BDB029356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.953 -0.687 0.152 0.00 0.00 +0.034 A ATOM 2 C LIG 1 0.196 -1.797 0.542 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.149 -1.659 0.909 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -1.761 -0.407 0.895 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.006 0.702 0.499 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.339 0.564 0.130 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.244 0.032 -0.553 0.00 0.00 +0.248 C ATOM 8 N LIG 1 2.297 -0.915 -0.207 0.00 0.00 -0.282 N ATOM 9 H LIG 1 2.609 -1.874 -0.134 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.105 1.249 -0.549 0.00 0.00 -0.270 OA BRANCH 7 13 ATOM 11 C LIG 1 6.998 -0.253 -0.920 0.00 0.00 +0.034 A ATOM 12 C LIG 1 5.721 0.207 -0.577 0.00 0.00 +0.036 A ATOM 13 C LIG 1 4.576 -0.521 -0.929 0.00 0.00 +0.039 A ATOM 14 C LIG 1 4.703 -1.717 -1.642 0.00 0.00 +0.013 A ATOM 15 C LIG 1 5.973 -2.194 -1.962 0.00 0.00 +0.003 A ATOM 16 C LIG 1 7.113 -1.472 -1.592 0.00 0.00 +0.023 A BRANCH 11 18 ATOM 17 C LIG 1 9.419 0.506 -0.793 0.00 0.00 +0.241 C ATOM 18 N LIG 1 8.088 0.531 -0.500 0.00 0.00 -0.282 N ATOM 19 H LIG 1 7.892 1.217 0.221 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 10.221 1.083 -0.060 0.00 0.00 -0.271 OA BRANCH 17 22 ATOM 21 C LIG 1 9.462 0.138 -3.229 0.00 0.00 +0.013 C ATOM 22 C LIG 1 9.930 -0.160 -2.010 0.00 0.00 +0.060 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 13 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -3.108 -0.181 1.245 0.00 0.00 -0.282 N ATOM 24 H LIG 1 -3.413 0.783 1.200 0.00 0.00 +0.155 HD ATOM 25 C LIG 1 -4.014 -1.107 1.728 0.00 0.00 +0.248 C ATOM 26 O LIG 1 -3.799 -2.280 2.002 0.00 0.00 -0.270 OA BRANCH 25 27 ATOM 27 C LIG 1 -5.383 -0.571 1.960 0.00 0.00 +0.038 A ATOM 28 C LIG 1 -5.981 0.319 1.055 0.00 0.00 +0.023 A ATOM 29 C LIG 1 -7.271 0.812 1.297 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -7.948 0.402 2.454 0.00 0.00 +0.010 A ATOM 31 C LIG 1 -7.362 -0.502 3.344 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.083 -0.995 3.093 0.00 0.00 +0.013 A BRANCH 29 33 ATOM 33 C LIG 1 -7.906 1.742 0.368 0.00 0.00 +0.066 A ATOM 34 N LIG 1 -7.817 1.639 -0.999 0.00 0.00 -0.277 N ATOM 35 H LIG 1 -7.336 0.928 -1.540 0.00 0.00 +0.189 HD ATOM 36 N LIG 1 -8.470 2.605 -1.666 0.00 0.00 -0.182 NA ATOM 37 C LIG 1 -9.026 3.333 -0.697 0.00 0.00 +0.135 A ATOM 38 C LIG 1 -8.717 2.840 0.583 0.00 0.00 +0.049 A ENDBRANCH 29 33 ENDBRANCH 25 27 ENDBRANCH 4 23 TORSDOF 7