REMARK Name = BDB017445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.600 0.600 1.267 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -3.443 -0.664 0.667 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.167 -1.051 0.239 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.039 -0.256 0.389 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.030 -1.023 -0.169 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -0.407 -2.206 -0.628 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -1.186 1.002 0.999 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -1.725 -2.186 -0.382 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -2.277 -2.987 -0.663 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.460 1.406 1.429 0.00 0.00 +0.005 A ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -7.648 0.127 -2.378 0.00 0.00 +0.138 C ATOM 12 N LIG 1 -7.288 0.450 -1.024 0.00 0.00 -0.273 N ATOM 13 C LIG 1 -8.149 0.289 0.080 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -7.505 0.762 1.235 0.00 0.00 -0.010 A ATOM 15 C LIG 1 -8.168 0.719 2.454 0.00 0.00 +0.006 A ATOM 16 C LIG 1 -9.466 0.199 2.497 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -10.092 -0.272 1.331 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -6.136 1.243 0.844 0.00 0.00 +0.081 C ATOM 19 C LIG 1 -4.953 1.047 1.772 0.00 0.00 +0.040 C ATOM 20 C LIG 1 -5.477 2.437 1.474 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -9.431 -0.228 0.102 0.00 0.00 +0.024 A ATOM 22 C LIG 1 -6.085 1.046 -0.655 0.00 0.00 +0.231 C ATOM 23 O LIG 1 -5.162 1.386 -1.378 0.00 0.00 -0.274 OA ENDBRANCH 1 19 BRANCH 5 24 ATOM 24 C LIG 1 1.399 -0.593 -0.229 0.00 0.00 +0.031 C ATOM 25 C LIG 1 2.404 -1.308 -0.763 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 3.796 -0.851 -0.826 0.00 0.00 -0.025 A ATOM 27 C LIG 1 4.550 -1.119 -1.968 0.00 0.00 +0.010 A ATOM 28 C LIG 1 5.890 -0.719 -2.047 0.00 0.00 +0.024 A ATOM 29 C LIG 1 6.535 -0.053 -0.991 0.00 0.00 +0.030 A ATOM 30 C LIG 1 5.763 0.198 0.151 0.00 0.00 +0.024 A ATOM 31 C LIG 1 4.420 -0.199 0.240 0.00 0.00 +0.010 A BRANCH 29 32 ATOM 32 N LIG 1 7.871 0.331 -1.117 0.00 0.00 -0.327 N ATOM 33 C LIG 1 8.789 -0.715 -1.627 0.00 0.00 +0.120 C ATOM 34 C LIG 1 10.255 -0.461 -1.203 0.00 0.00 +0.100 C ATOM 35 N LIG 1 10.453 -0.279 0.249 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 10.401 -1.192 0.701 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 9.389 0.570 0.832 0.00 0.00 +0.100 C ATOM 38 C LIG 1 8.489 1.296 -0.191 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 4