REMARK Name = BDB056011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.050 1.266 0.710 0.00 0.00 +0.120 A ATOM 2 N LIG 1 2.129 1.968 1.436 0.00 0.00 -0.263 N ATOM 3 H LIG 1 2.287 2.519 2.269 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.879 1.901 0.957 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 0.978 1.120 -0.134 0.00 0.00 +0.094 A ATOM 6 C LIG 1 2.329 0.715 -0.324 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.194 0.791 -0.955 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.408 1.467 -0.766 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -2.530 1.163 -1.545 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -2.463 0.175 -2.534 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -1.256 -0.511 -2.721 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -0.134 -0.203 -1.942 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -3.682 -0.169 -3.351 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 -4.572 -1.037 -2.609 0.00 0.00 -0.295 N ATOM 15 H LIG 1 -4.144 -1.854 -2.201 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 -5.676 -0.531 -1.958 0.00 0.00 +0.305 C ATOM 17 N LIG 1 -6.320 -1.504 -1.239 0.00 0.00 -0.252 N ATOM 18 H LIG 1 -6.031 -2.464 -1.317 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 -6.022 0.640 -2.048 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 -7.443 -1.313 -0.466 0.00 0.00 +0.169 A ATOM 21 N LIG 1 -8.015 -2.360 0.138 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 -9.099 -1.857 0.831 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 -9.178 -0.509 0.644 0.00 0.00 +0.144 A ATOM 24 C LIG 1 -8.142 -0.122 -0.174 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 -10.310 0.199 1.335 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -11.654 -0.374 0.852 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -10.190 0.007 2.857 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -10.284 1.708 1.029 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 29 ATOM 29 N LIG 1 4.360 1.254 1.061 0.00 0.00 -0.285 N ATOM 30 H LIG 1 4.637 1.623 1.965 0.00 0.00 +0.155 HD BRANCH 29 36 ATOM 31 C LIG 1 5.517 -2.889 -1.143 0.00 0.00 +0.088 C ATOM 32 C LIG 1 5.924 -1.620 -0.463 0.00 0.00 +0.130 A ATOM 33 N LIG 1 7.237 -1.416 -0.271 0.00 0.00 -0.218 NA ATOM 34 C LIG 1 7.611 -0.284 0.346 0.00 0.00 +0.127 A ATOM 35 C LIG 1 6.659 0.609 0.807 0.00 0.00 +0.087 A ATOM 36 C LIG 1 5.321 0.315 0.598 0.00 0.00 +0.129 A ATOM 37 N LIG 1 4.950 -0.794 -0.057 0.00 0.00 -0.217 NA BRANCH 34 38 ATOM 38 N LIG 1 8.977 -0.028 0.556 0.00 0.00 -0.313 N ATOM 39 C LIG 1 9.870 -1.134 0.162 0.00 0.00 +0.121 C ATOM 40 C LIG 1 11.311 -0.873 0.672 0.00 0.00 +0.100 C ATOM 41 N LIG 1 11.741 0.543 0.737 0.00 0.00 -0.313 NA ATOM 42 H LIG 1 11.501 0.874 1.674 0.00 0.00 +0.122 HD ATOM 43 C LIG 1 10.942 1.337 -0.212 0.00 0.00 +0.100 C ATOM 44 C LIG 1 9.424 1.306 0.097 0.00 0.00 +0.121 C ENDBRANCH 34 38 ENDBRANCH 29 36 ENDBRANCH 1 29 TORSDOF 8