REMARK Name = BDB058031 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.108 -0.557 -1.262 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -2.238 0.537 -1.157 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.862 0.340 -0.995 0.00 0.00 +0.013 A ATOM 4 C LIG 1 -0.341 -0.958 -0.952 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -1.206 -2.053 -1.054 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -2.580 -1.852 -1.220 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -6.075 2.667 1.954 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -6.017 1.800 0.878 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -4.898 1.163 0.387 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -5.324 0.405 -0.696 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -6.785 0.559 -0.905 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -7.496 0.050 -1.742 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -4.550 -0.382 -1.454 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -7.169 1.486 0.153 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -8.412 2.007 0.452 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -8.489 2.887 1.531 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.334 3.213 2.272 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -3.710 2.435 2.544 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -2.936 2.667 3.152 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -3.594 1.675 1.885 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -4.903 3.054 2.781 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -5.000 3.899 3.663 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 1.113 -1.221 -0.774 0.00 0.00 +0.244 C ATOM 24 N LIG 1 1.977 -0.255 -1.250 0.00 0.00 -0.311 N ATOM 25 H LIG 1 1.623 0.468 -1.862 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 1.495 -2.261 -0.249 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 3.414 -0.470 -1.228 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 4.006 -0.334 0.175 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 5.439 -0.734 0.184 0.00 0.00 +0.110 A ATOM 30 N LIG 1 5.844 -1.989 0.570 0.00 0.00 -0.342 N ATOM 31 H LIG 1 5.234 -2.735 0.876 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 7.209 -2.052 0.459 0.00 0.00 +0.066 A ATOM 33 C LIG 1 7.574 -0.791 -0.004 0.00 0.00 +0.092 A ATOM 34 C LIG 1 8.925 -0.505 -0.231 0.00 0.00 +0.068 A ATOM 35 C LIG 1 9.855 -1.513 0.021 0.00 0.00 +0.126 A ATOM 36 C LIG 1 9.473 -2.771 0.484 0.00 0.00 +0.040 A ATOM 37 F LIG 1 11.156 -1.266 -0.188 0.00 0.00 -0.205 F ATOM 38 C LIG 1 8.127 -3.073 0.717 0.00 0.00 +0.030 A ATOM 39 N LIG 1 6.468 0.007 -0.171 0.00 0.00 -0.232 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 TORSDOF 6