REMARK Name = BDB022759 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.606 1.523 0.561 0.00 0.00 +0.095 A ATOM 2 C LIG 1 1.229 2.517 1.504 0.00 0.00 +0.150 A ATOM 3 N LIG 1 0.138 2.187 2.188 0.00 0.00 -0.155 NA ATOM 4 N LIG 1 -0.194 0.976 1.707 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.660 0.527 0.738 0.00 0.00 +0.123 A ENDROOT BRANCH 1 8 ATOM 6 N LIG 1 2.966 0.387 -1.046 0.00 0.00 -0.307 N ATOM 7 H LIG 1 2.499 -0.453 -0.734 0.00 0.00 +0.149 HD ATOM 8 C LIG 1 2.717 1.566 -0.378 0.00 0.00 +0.249 C ATOM 9 O LIG 1 3.383 2.582 -0.557 0.00 0.00 -0.270 OA BRANCH 6 10 ATOM 10 C LIG 1 4.123 0.218 -1.897 0.00 0.00 +0.145 C BRANCH 10 14 ATOM 11 C LIG 1 7.687 -0.378 -0.650 0.00 0.00 +0.156 A ATOM 12 C LIG 1 6.572 0.166 -1.308 0.00 0.00 +0.172 A ATOM 13 F LIG 1 6.742 1.230 -2.110 0.00 0.00 -0.201 F ATOM 14 C LIG 1 5.291 -0.375 -1.164 0.00 0.00 +0.044 A ATOM 15 C LIG 1 5.154 -1.509 -0.365 0.00 0.00 +0.131 A ATOM 16 F LIG 1 3.953 -2.091 -0.226 0.00 0.00 -0.205 F ATOM 17 C LIG 1 6.244 -2.068 0.298 0.00 0.00 +0.042 A ATOM 18 C LIG 1 7.513 -1.501 0.160 0.00 0.00 +0.051 A BRANCH 11 20 ATOM 19 C LIG 1 10.017 -0.215 -0.176 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.877 0.256 -0.883 0.00 0.00 -0.492 OA ENDBRANCH 11 20 ENDBRANCH 10 14 ENDBRANCH 6 10 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 N LIG 1 1.885 3.669 1.699 0.00 0.00 -0.341 N ATOM 22 H LIG 1 2.542 3.985 0.987 0.00 0.00 +0.144 HD ATOM 23 H LIG 1 1.386 4.414 2.169 0.00 0.00 +0.144 HD ENDBRANCH 2 21 BRANCH 4 24 ATOM 24 C LIG 1 -1.347 0.269 2.251 0.00 0.00 +0.178 C BRANCH 24 25 ATOM 25 C LIG 1 -2.464 0.157 1.244 0.00 0.00 -0.026 A ATOM 26 C LIG 1 -2.875 -1.096 0.769 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.911 -1.196 -0.162 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -4.558 -0.047 -0.637 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -4.152 1.205 -0.158 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -3.117 1.306 0.774 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -5.686 -0.165 -1.639 0.00 0.00 +0.160 C BRANCH 31 32 ATOM 32 N LIG 1 -6.928 -0.640 -1.034 0.00 0.00 -0.311 N ATOM 33 C LIG 1 -7.257 -1.990 -1.157 0.00 0.00 +0.252 A ATOM 34 O LIG 1 -6.584 -2.829 -1.751 0.00 0.00 -0.268 OA ATOM 35 C LIG 1 -8.528 -2.413 -0.507 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -9.277 -1.524 0.157 0.00 0.00 +0.007 A ATOM 37 C LIG 1 -8.861 -0.149 0.254 0.00 0.00 +0.018 A ATOM 38 C LIG 1 -7.724 0.249 -0.329 0.00 0.00 +0.089 A ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 9