REMARK Name = BDB010848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.882 0.050 0.566 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.900 1.030 0.439 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -1.163 2.326 0.849 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -0.104 3.151 0.620 0.00 0.00 -0.210 NA ATOM 5 C LIG 1 0.838 2.382 0.099 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -2.321 2.730 1.394 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -3.196 1.721 1.511 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.411 1.070 0.012 0.00 0.00 -0.321 N ATOM 9 N LIG 1 -3.041 0.437 1.133 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -4.496 2.084 2.120 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.701 3.349 2.524 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.055 4.120 2.465 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.941 3.401 3.028 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.485 4.388 3.494 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -6.501 2.151 2.931 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -5.512 1.310 2.324 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -1.696 -1.263 0.136 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -1.374 -1.260 -0.826 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -2.763 -2.709 1.798 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -2.807 -2.205 0.351 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -2.636 -3.409 -0.599 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -2.850 -3.130 -2.115 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -4.300 -3.618 -1.950 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -3.831 -4.400 -0.710 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 C LIG 1 2.183 2.892 -0.327 0.00 0.00 +0.183 C BRANCH 25 26 ATOM 26 C LIG 1 2.192 3.262 -1.804 0.00 0.00 +0.025 C ATOM 27 C LIG 1 1.367 4.488 -2.294 0.00 0.00 +0.006 C ATOM 28 C LIG 1 2.494 4.743 -3.316 0.00 0.00 +0.001 C ATOM 29 C LIG 1 3.444 4.004 -2.350 0.00 0.00 +0.006 C ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 O LIG 1 2.459 4.045 0.470 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 1.587 4.404 0.735 0.00 0.00 +0.210 HD ENDBRANCH 25 30 ENDBRANCH 5 25 BRANCH 8 32 ATOM 32 C LIG 1 1.195 -0.069 -0.445 0.00 0.00 +0.127 C BRANCH 32 33 ATOM 33 C LIG 1 1.622 -1.026 0.690 0.00 0.00 +0.009 C ATOM 34 C LIG 1 2.809 -0.491 1.509 0.00 0.00 +0.005 C ATOM 35 C LIG 1 4.146 -0.566 0.768 0.00 0.00 +0.003 C ATOM 36 C LIG 1 4.448 -1.958 0.197 0.00 0.00 -0.014 C ATOM 37 C LIG 1 4.852 -2.943 1.298 0.00 0.00 +0.007 C ATOM 38 C LIG 1 3.262 -2.479 -0.626 0.00 0.00 +0.003 C ATOM 39 C LIG 1 1.940 -2.426 0.138 0.00 0.00 +0.005 C ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 9