REMARK Name = BDB052524 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.750 0.177 0.142 0.00 0.00 +0.138 A ATOM 2 C LIG 1 0.199 1.473 0.075 0.00 0.00 +0.026 A ATOM 3 C LIG 1 -1.213 1.624 -0.006 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.714 2.953 -0.073 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.875 4.072 -0.062 0.00 0.00 +0.001 A ATOM 6 C LIG 1 0.496 3.904 0.017 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -2.034 0.447 -0.004 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.440 -0.819 0.076 0.00 0.00 +0.027 A ATOM 9 C LIG 1 1.026 2.619 0.086 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.059 -0.956 0.162 0.00 0.00 +0.049 A ENDROOT BRANCH 7 11 ATOM 11 N LIG 1 -3.443 0.572 -0.117 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -3.819 1.502 -0.183 0.00 0.00 +0.156 HD ATOM 13 C LIG 1 -4.404 -0.395 0.105 0.00 0.00 +0.304 C ATOM 14 N LIG 1 -5.647 0.090 -0.267 0.00 0.00 -0.294 N ATOM 15 H LIG 1 -5.596 0.713 -1.060 0.00 0.00 +0.151 HD ATOM 16 O LIG 1 -4.224 -1.509 0.573 0.00 0.00 -0.252 OA BRANCH 14 17 ATOM 17 C LIG 1 -6.891 -0.694 -0.176 0.00 0.00 +0.028 C ATOM 18 C LIG 1 -6.842 -1.914 -1.109 0.00 0.00 +0.031 C ATOM 19 C LIG 1 -8.050 0.218 -0.622 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -7.169 -1.142 1.269 0.00 0.00 +0.031 C ENDBRANCH 14 17 ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 O LIG 1 2.112 0.019 0.290 0.00 0.00 -0.437 OA BRANCH 21 23 ATOM 22 C LIG 1 4.175 -0.779 -0.606 0.00 0.00 +0.062 A ATOM 23 C LIG 1 2.818 -0.485 -0.802 0.00 0.00 +0.230 A ATOM 24 N LIG 1 2.172 -0.610 -1.992 0.00 0.00 -0.220 NA ATOM 25 C LIG 1 2.894 -1.037 -3.045 0.00 0.00 +0.114 A ATOM 26 C LIG 1 4.238 -1.345 -2.974 0.00 0.00 +0.021 A ATOM 27 C LIG 1 4.878 -1.212 -1.745 0.00 0.00 +0.017 A BRANCH 22 30 ATOM 28 C LIG 1 6.798 0.029 1.762 0.00 0.00 +0.215 A ATOM 29 N LIG 1 6.113 -0.118 0.620 0.00 0.00 -0.214 NA ATOM 30 C LIG 1 4.870 -0.648 0.686 0.00 0.00 +0.081 A ATOM 31 C LIG 1 4.328 -1.067 1.885 0.00 0.00 +0.048 A ATOM 32 C LIG 1 5.111 -0.887 2.998 0.00 0.00 +0.116 A ATOM 33 N LIG 1 6.341 -0.347 2.960 0.00 0.00 -0.223 NA BRANCH 28 35 ATOM 34 C LIG 1 8.853 0.290 0.584 0.00 0.00 +0.128 C ATOM 35 N LIG 1 8.067 0.591 1.758 0.00 0.00 -0.317 N ATOM 36 H LIG 1 8.486 0.332 2.644 0.00 0.00 +0.149 HD ENDBRANCH 28 35 ENDBRANCH 22 30 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 6