REMARK Name = BDB014095 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.428 4.511 2.274 0.00 0.00 -0.270 OA ATOM 2 C LIG 1 0.414 3.420 1.706 0.00 0.00 +0.248 C ATOM 3 C LIG 1 -0.895 2.769 1.451 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -1.241 2.311 0.170 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.524 1.794 -0.083 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -3.455 1.769 0.968 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -3.112 2.231 2.241 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -2.905 1.373 -1.492 0.00 0.00 +0.182 C ATOM 9 N LIG 1 -3.777 0.200 -1.546 0.00 0.00 -0.222 N ATOM 10 N LIG 1 -3.217 -0.997 -1.141 0.00 0.00 -0.130 NA ATOM 11 C LIG 1 -4.005 -2.016 -1.080 0.00 0.00 +0.233 A ATOM 12 C LIG 1 -5.418 -2.052 -1.442 0.00 0.00 +0.074 A ATOM 13 C LIG 1 -5.936 -0.894 -1.854 0.00 0.00 +0.077 A ATOM 14 O LIG 1 -3.609 -3.232 -0.632 0.00 0.00 -0.473 OA ATOM 15 C LIG 1 -2.228 -3.331 -0.215 0.00 0.00 +0.263 C ATOM 16 C LIG 1 -1.974 -2.565 1.097 0.00 0.00 +0.169 C ATOM 17 C LIG 1 -0.604 -1.874 1.058 0.00 0.00 +0.139 C ATOM 18 N LIG 1 -0.388 -1.054 2.235 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -0.963 -1.220 3.053 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.470 0.016 2.358 0.00 0.00 +0.266 C ATOM 21 O LIG 1 0.442 0.675 3.398 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 1.403 0.325 1.259 0.00 0.00 +0.168 A ATOM 23 C LIG 1 1.895 1.603 0.848 0.00 0.00 +0.084 A ATOM 24 C LIG 1 2.933 1.322 -0.011 0.00 0.00 +0.132 A ATOM 25 N LIG 1 2.960 -0.030 -0.163 0.00 0.00 -0.266 N ATOM 26 N LIG 1 2.030 -0.661 0.577 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -5.112 0.338 -1.914 0.00 0.00 +0.268 A ATOM 28 O LIG 1 -5.644 1.387 -2.268 0.00 0.00 -0.266 OA ATOM 29 C LIG 1 -1.839 2.743 2.480 0.00 0.00 +0.013 A ATOM 30 N LIG 1 1.574 2.906 1.175 0.00 0.00 -0.278 N ATOM 31 H LIG 1 2.318 3.590 1.101 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 32 ATOM 32 C LIG 1 3.874 -0.838 -0.971 0.00 0.00 +0.112 C ATOM 33 C LIG 1 4.128 -0.275 -2.380 0.00 0.00 +0.055 C ATOM 34 C LIG 1 5.527 0.315 -2.517 0.00 0.00 +0.162 C ATOM 35 O LIG 1 5.885 0.992 -1.321 0.00 0.00 -0.380 OA ATOM 36 C LIG 1 6.103 0.110 -0.220 0.00 0.00 +0.162 C ATOM 37 C LIG 1 5.183 -1.108 -0.227 0.00 0.00 +0.055 C ENDBRANCH 25 32 BRANCH 16 38 ATOM 38 O LIG 1 -2.043 -3.464 2.217 0.00 0.00 -0.387 OA ATOM 39 H LIG 1 -1.234 -4.003 2.225 0.00 0.00 +0.210 HD ENDBRANCH 16 38 TORSDOF 2