REMARK Name = BDB047878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.132 -2.571 -1.370 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -1.654 -1.465 -0.692 0.00 0.00 +0.107 A ATOM 3 C LIG 1 -2.643 -1.230 0.309 0.00 0.00 +0.127 A ATOM 4 N LIG 1 -3.643 -2.117 0.220 0.00 0.00 -0.077 NA ATOM 5 O LIG 1 -3.320 -2.951 -0.828 0.00 0.00 -0.358 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 -2.630 -0.249 1.383 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.159 1.039 1.229 0.00 0.00 +0.051 A ATOM 8 CL LIG 1 -3.852 1.572 -0.264 0.00 0.00 -0.083 Cl ATOM 9 C LIG 1 -3.088 1.960 2.279 0.00 0.00 +0.024 A ATOM 10 C LIG 1 -2.490 1.607 3.498 0.00 0.00 -0.035 A ATOM 11 C LIG 1 -1.970 0.316 3.652 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.043 -0.606 2.606 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 C LIG 1 -2.361 2.625 4.608 0.00 0.00 +0.155 C BRANCH 13 14 ATOM 14 C LIG 1 -1.149 3.513 4.462 0.00 0.00 +0.309 C ATOM 15 O LIG 1 -0.348 3.542 3.543 0.00 0.00 -0.251 OA BRANCH 14 16 ATOM 16 O LIG 1 -1.011 4.354 5.509 0.00 0.00 -0.480 OA ATOM 17 H LIG 1 -0.204 4.870 5.297 0.00 0.00 +0.295 HD ENDBRANCH 14 16 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 3 6 BRANCH 2 18 ATOM 18 C LIG 1 -0.398 -0.799 -0.955 0.00 0.00 +0.250 C ATOM 19 N LIG 1 -0.405 0.566 -0.775 0.00 0.00 -0.308 N ATOM 20 H LIG 1 -1.288 1.046 -0.659 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 0.600 -1.406 -1.331 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 0.772 1.370 -1.036 0.00 0.00 +0.145 C BRANCH 22 23 ATOM 23 C LIG 1 1.828 1.256 0.067 0.00 0.00 +0.248 C BRANCH 23 24 ATOM 24 O LIG 1 2.978 2.040 -0.250 0.00 0.00 -0.489 OA BRANCH 24 25 ATOM 25 C LIG 1 4.002 1.471 -0.960 0.00 0.00 +0.139 A ATOM 26 C LIG 1 5.164 2.248 -1.119 0.00 0.00 +0.084 A ATOM 27 CL LIG 1 5.284 3.836 -0.440 0.00 0.00 -0.080 Cl ATOM 28 C LIG 1 6.264 1.764 -1.832 0.00 0.00 +0.043 A ATOM 29 C LIG 1 6.207 0.494 -2.396 0.00 0.00 +0.043 A ATOM 30 CL LIG 1 7.554 -0.113 -3.277 0.00 0.00 -0.083 Cl ATOM 31 C LIG 1 5.064 -0.288 -2.255 0.00 0.00 +0.023 A ATOM 32 C LIG 1 3.963 0.199 -1.540 0.00 0.00 +0.048 A ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 2 18 BRANCH 1 34 ATOM 33 C LIG 1 -2.700 -3.566 -3.590 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -1.628 -3.389 -2.514 0.00 0.00 +0.052 C ATOM 35 C LIG 1 -1.121 -4.745 -2.024 0.00 0.00 +0.015 C ENDBRANCH 1 34 TORSDOF 10