REMARK Name = BDB014650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.399 2.677 -2.537 0.00 0.00 +0.324 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.319 3.515 -1.651 0.00 0.00 +0.251 C ATOM 3 N LIG 1 -3.667 3.261 -1.832 0.00 0.00 -0.310 N ATOM 4 H LIG 1 -3.899 2.334 -2.171 0.00 0.00 +0.149 HD ATOM 5 O LIG 1 -1.893 4.327 -0.833 0.00 0.00 -0.272 OA BRANCH 3 6 ATOM 6 C LIG 1 -4.650 3.810 -0.913 0.00 0.00 +0.136 C BRANCH 6 7 ATOM 7 C LIG 1 -4.739 3.038 0.415 0.00 0.00 +0.145 C BRANCH 7 8 ATOM 8 O LIG 1 -5.659 3.728 1.275 0.00 0.00 -0.389 OA ATOM 9 H LIG 1 -5.509 3.391 2.178 0.00 0.00 +0.210 HD ENDBRANCH 7 8 BRANCH 7 10 ATOM 10 C LIG 1 -5.243 1.583 0.228 0.00 0.00 +0.117 C BRANCH 10 11 ATOM 11 N LIG 1 -4.410 0.717 -0.633 0.00 0.00 -0.295 NA ATOM 12 C LIG 1 -3.132 0.331 0.016 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -3.253 -0.724 1.097 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -4.348 -1.609 1.125 0.00 0.00 -0.042 A ATOM 15 C LIG 1 -4.420 -2.598 2.117 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.401 -2.723 3.063 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -2.305 -1.861 3.026 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -5.477 -1.457 0.134 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -2.227 -0.869 2.046 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -5.126 -0.513 -1.030 0.00 0.00 +0.089 C ENDBRANCH 10 11 ENDBRANCH 7 10 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 21 ATOM 21 O LIG 1 -0.543 1.920 -1.685 0.00 0.00 -0.483 OA BRANCH 21 24 ATOM 22 C LIG 1 2.373 -0.228 -1.877 0.00 0.00 +0.040 A ATOM 23 C LIG 1 1.325 0.568 -1.398 0.00 0.00 +0.058 A ATOM 24 C LIG 1 0.424 1.165 -2.287 0.00 0.00 +0.122 A ATOM 25 C LIG 1 0.562 0.949 -3.659 0.00 0.00 +0.046 A ATOM 26 C LIG 1 1.593 0.138 -4.141 0.00 0.00 +0.004 A ATOM 27 C LIG 1 2.494 -0.452 -3.254 0.00 0.00 +0.013 A BRANCH 22 30 ATOM 28 N LIG 1 3.574 -0.249 0.253 0.00 0.00 -0.311 N ATOM 29 H LIG 1 3.209 0.680 0.414 0.00 0.00 +0.149 HD ATOM 30 C LIG 1 3.360 -0.869 -0.963 0.00 0.00 +0.244 C ATOM 31 O LIG 1 3.966 -1.876 -1.314 0.00 0.00 -0.270 OA BRANCH 28 32 ATOM 32 C LIG 1 4.541 -0.771 1.203 0.00 0.00 +0.112 C BRANCH 32 33 ATOM 33 C LIG 1 5.985 -0.463 0.801 0.00 0.00 +0.093 C BRANCH 33 36 ATOM 34 C LIG 1 7.261 -3.232 0.405 0.00 0.00 +0.150 C ATOM 35 N LIG 1 7.484 -2.367 1.541 0.00 0.00 -0.337 N ATOM 36 C LIG 1 6.942 -1.118 1.739 0.00 0.00 +0.111 A ATOM 37 N LIG 1 7.371 -0.604 2.875 0.00 0.00 -0.241 NA ATOM 38 C LIG 1 8.213 -1.541 3.413 0.00 0.00 +0.130 A ATOM 39 C LIG 1 8.290 -2.648 2.607 0.00 0.00 +0.106 A ENDBRANCH 33 36 ENDBRANCH 32 33 ENDBRANCH 28 32 ENDBRANCH 22 30 ENDBRANCH 21 24 ENDBRANCH 1 21 TORSDOF 12