REMARK Name = BDB014109 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.185 -0.006 -0.148 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.788 0.066 -0.143 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.667 0.953 -0.089 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -0.482 0.108 -0.172 0.00 0.00 -0.254 N ATOM 5 C LIG 1 -0.115 -1.346 -0.262 0.00 0.00 +0.161 C ATOM 6 O LIG 1 0.756 2.164 0.008 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 1.345 -1.212 -0.238 0.00 0.00 +0.074 A ATOM 8 N LIG 1 2.420 -2.018 -0.258 0.00 0.00 -0.278 N ATOM 9 H LIG 1 2.482 -3.031 -0.297 0.00 0.00 +0.189 HD ATOM 10 N LIG 1 3.569 -1.305 -0.191 0.00 0.00 -0.173 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.837 0.564 -0.257 0.00 0.00 +0.040 A ATOM 12 C LIG 1 -2.881 -0.344 -0.519 0.00 0.00 +0.053 A ATOM 13 C LIG 1 -4.195 0.147 -0.576 0.00 0.00 +0.091 A ATOM 14 C LIG 1 -4.512 1.487 -0.402 0.00 0.00 +0.116 A ATOM 15 N LIG 1 -5.867 1.656 -0.522 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.412 0.472 -0.765 0.00 0.00 -0.065 NA ATOM 17 C LIG 1 -3.492 2.415 -0.148 0.00 0.00 -0.019 A ATOM 18 C LIG 1 -3.745 3.880 0.055 0.00 0.00 +0.046 C ATOM 19 N LIG 1 -5.418 -0.432 -0.788 0.00 0.00 -0.247 N ATOM 20 C LIG 1 -5.731 -1.816 -1.022 0.00 0.00 +0.175 C ATOM 21 C LIG 1 -2.166 1.920 -0.079 0.00 0.00 +0.029 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.620 -2.215 0.876 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.724 -1.735 2.194 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.176 -2.566 3.222 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.520 -3.886 2.946 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -2.079 -4.909 4.211 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -1.411 -4.386 1.651 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.959 -3.556 0.621 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 5.164 1.264 -1.010 0.00 0.00 +0.224 A ATOM 30 C LIG 1 4.143 1.086 -0.073 0.00 0.00 +0.064 A ATOM 31 C LIG 1 4.051 2.020 0.967 0.00 0.00 +0.017 A ATOM 32 C LIG 1 4.965 3.068 1.042 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.944 3.152 0.069 0.00 0.00 +0.114 A ATOM 34 N LIG 1 6.064 2.281 -0.955 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 6.376 0.582 -2.899 0.00 0.00 +0.279 C ATOM 36 O LIG 1 5.223 0.399 -2.087 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4