REMARK Name = BDB063415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.978 -0.704 0.113 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -2.978 -1.213 -0.727 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -4.327 -0.889 -0.537 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -4.724 -0.044 0.505 0.00 0.00 +0.017 A ATOM 5 C LIG 1 -3.730 0.473 1.343 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -2.379 0.144 1.147 0.00 0.00 +0.024 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -6.147 0.270 0.676 0.00 0.00 +0.139 A ATOM 8 N LIG 1 -6.684 0.861 1.798 0.00 0.00 -0.338 N ATOM 9 H LIG 1 -6.169 1.133 2.620 0.00 0.00 +0.167 HD ATOM 10 C LIG 1 -8.038 1.000 1.628 0.00 0.00 +0.067 A ATOM 11 C LIG 1 -8.286 0.466 0.368 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -9.608 0.456 -0.120 0.00 0.00 +0.064 A ATOM 13 C LIG 1 -10.626 0.987 0.694 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -10.340 1.514 1.956 0.00 0.00 +0.003 A ATOM 15 C LIG 1 -9.033 1.531 2.452 0.00 0.00 +0.028 A ATOM 16 N LIG 1 -7.107 0.017 -0.198 0.00 0.00 -0.227 NA BRANCH 12 17 ATOM 17 C LIG 1 -9.954 -0.092 -1.452 0.00 0.00 +0.244 C ATOM 18 O LIG 1 -11.109 -0.101 -1.863 0.00 0.00 -0.270 OA ATOM 19 N LIG 1 -8.934 -0.588 -2.212 0.00 0.00 -0.325 N ATOM 20 H LIG 1 -7.973 -0.571 -1.875 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 -9.138 -0.958 -3.128 0.00 0.00 +0.145 HD ENDBRANCH 12 17 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 N LIG 1 -0.650 -1.068 -0.130 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -0.479 -1.685 -0.910 0.00 0.00 +0.155 HD BRANCH 22 26 ATOM 24 C LIG 1 2.861 -1.110 0.416 0.00 0.00 +0.130 A ATOM 25 N LIG 1 1.635 -1.348 -0.096 0.00 0.00 -0.199 NA ATOM 26 C LIG 1 0.566 -0.771 0.479 0.00 0.00 +0.221 A ATOM 27 N LIG 1 0.647 0.026 1.550 0.00 0.00 -0.223 NA ATOM 28 C LIG 1 1.870 0.236 2.061 0.00 0.00 +0.118 A ATOM 29 C LIG 1 3.011 -0.310 1.534 0.00 0.00 +0.064 A BRANCH 24 30 ATOM 30 N LIG 1 4.012 -1.719 -0.158 0.00 0.00 -0.288 N ATOM 31 C LIG 1 3.697 -2.590 -1.297 0.00 0.00 +0.137 C BRANCH 30 35 ATOM 32 C LIG 1 7.821 0.122 -0.625 0.00 0.00 -0.045 A ATOM 33 C LIG 1 7.706 -1.237 -0.306 0.00 0.00 +0.006 A ATOM 34 C LIG 1 6.450 -1.832 -0.156 0.00 0.00 +0.024 A ATOM 35 C LIG 1 5.274 -1.088 -0.317 0.00 0.00 +0.035 A ATOM 36 C LIG 1 5.391 0.271 -0.639 0.00 0.00 +0.024 A ATOM 37 C LIG 1 6.647 0.868 -0.792 0.00 0.00 +0.006 A BRANCH 32 39 ATOM 38 C LIG 1 9.431 1.858 0.242 0.00 0.00 +0.012 C ATOM 39 C LIG 1 9.195 0.748 -0.785 0.00 0.00 +0.013 C ATOM 40 C LIG 1 9.414 1.266 -2.209 0.00 0.00 +0.012 C ENDBRANCH 32 39 ENDBRANCH 30 35 ENDBRANCH 24 30 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 7