REMARK Name = BDB062102 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.143 -2.511 0.277 0.00 0.00 +0.097 A ATOM 2 C LIG 1 1.013 -1.428 0.524 0.00 0.00 +0.101 A ATOM 3 N LIG 1 2.353 -1.619 0.710 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 2.791 -2.893 0.676 0.00 0.00 +0.234 A ATOM 5 C LIG 1 1.934 -3.957 0.460 0.00 0.00 +0.178 A ATOM 6 N LIG 1 0.605 -3.796 0.261 0.00 0.00 -0.248 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -4.099 -2.185 -0.513 0.00 0.00 -0.018 A ATOM 8 C LIG 1 -3.171 -1.431 -1.246 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.796 -1.537 -1.002 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -1.300 -2.393 -0.005 0.00 0.00 +0.002 A ATOM 11 C LIG 1 -2.229 -3.162 0.713 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -3.604 -3.056 0.467 0.00 0.00 +0.009 A BRANCH 7 16 ATOM 13 C LIG 1 -8.335 -1.888 -1.251 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -7.818 -1.683 0.029 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -6.444 -1.794 0.272 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -5.544 -2.071 -0.768 0.00 0.00 -0.018 A ATOM 17 C LIG 1 -6.068 -2.215 -2.062 0.00 0.00 +0.010 A ATOM 18 C LIG 1 -7.443 -2.104 -2.301 0.00 0.00 +0.023 A BRANCH 13 19 ATOM 19 N LIG 1 -9.691 -1.660 -1.510 0.00 0.00 -0.358 N ATOM 20 H LIG 1 -10.030 -2.120 -2.349 0.00 0.00 +0.142 HD ATOM 21 H LIG 1 -10.294 -1.825 -0.711 0.00 0.00 +0.142 HD ENDBRANCH 13 19 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 2 22 ATOM 22 C LIG 1 0.602 -0.016 0.628 0.00 0.00 +0.003 A ATOM 23 C LIG 1 1.262 0.973 -0.119 0.00 0.00 +0.011 A ATOM 24 C LIG 1 0.882 2.318 -0.040 0.00 0.00 +0.009 A ATOM 25 C LIG 1 -0.168 2.725 0.795 0.00 0.00 -0.018 A ATOM 26 C LIG 1 -0.816 1.742 1.558 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -0.434 0.397 1.481 0.00 0.00 +0.011 A BRANCH 25 28 ATOM 28 C LIG 1 -0.575 4.137 0.874 0.00 0.00 -0.018 A ATOM 29 C LIG 1 -1.907 4.519 0.656 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -2.294 5.862 0.728 0.00 0.00 +0.023 A ATOM 31 C LIG 1 -1.372 6.854 1.062 0.00 0.00 +0.025 A ATOM 32 C LIG 1 -0.034 6.490 1.222 0.00 0.00 +0.023 A ATOM 33 C LIG 1 0.357 5.148 1.150 0.00 0.00 +0.010 A BRANCH 31 34 ATOM 34 N LIG 1 -1.737 8.204 1.017 0.00 0.00 -0.358 N ATOM 35 H LIG 1 -2.720 8.368 1.210 0.00 0.00 +0.142 HD ATOM 36 H LIG 1 -1.131 8.810 1.560 0.00 0.00 +0.142 HD ENDBRANCH 31 34 ENDBRANCH 25 28 ENDBRANCH 2 22 BRANCH 4 37 ATOM 37 O LIG 1 4.129 -3.176 0.843 0.00 0.00 -0.475 OA BRANCH 37 38 ATOM 38 C LIG 1 4.951 -2.040 1.131 0.00 0.00 +0.234 C BRANCH 38 39 ATOM 39 C LIG 1 5.415 -1.329 -0.152 0.00 0.00 +0.029 C ATOM 40 C LIG 1 6.250 -2.250 -1.062 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.746 -2.072 -0.824 0.00 0.00 +0.081 C ATOM 42 N LIG 1 8.215 -0.705 -1.050 0.00 0.00 -0.316 NA ATOM 43 H LIG 1 8.614 -0.622 -1.985 0.00 0.00 +0.122 HD ATOM 44 C LIG 1 7.187 0.322 -0.877 0.00 0.00 +0.081 C ATOM 45 C LIG 1 6.183 -0.046 0.209 0.00 0.00 +0.022 C ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 4 37 TORSDOF 9