REMARK Name = BDB039493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.319 -0.839 -0.464 0.00 0.00 +0.001 A ATOM 2 C LIG 1 1.297 -0.189 0.323 0.00 0.00 +0.016 A ATOM 3 C LIG 1 2.569 0.007 -0.191 0.00 0.00 -0.017 A ATOM 4 C LIG 1 3.759 0.654 0.437 0.00 0.00 +0.144 C ATOM 5 N LIG 1 4.758 0.566 -0.623 0.00 0.00 -0.282 N ATOM 6 C LIG 1 4.287 -0.109 -1.737 0.00 0.00 +0.248 C ATOM 7 O LIG 1 4.902 -0.420 -2.738 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 2.882 -0.434 -1.472 0.00 0.00 +0.042 A ATOM 9 C LIG 1 1.970 -1.084 -2.278 0.00 0.00 +0.014 A ATOM 10 C LIG 1 0.684 -1.284 -1.763 0.00 0.00 +0.011 A ENDROOT BRANCH 1 17 ATOM 11 C LIG 1 -1.655 -2.034 4.216 0.00 0.00 +0.150 C ATOM 12 N LIG 1 -2.638 -1.854 3.175 0.00 0.00 -0.335 N ATOM 13 C LIG 1 -2.336 -1.539 1.874 0.00 0.00 +0.141 A ATOM 14 C LIG 1 -3.532 -1.453 1.170 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.471 -1.139 -0.203 0.00 0.00 -0.021 A ATOM 16 C LIG 1 -2.182 -0.935 -0.732 0.00 0.00 +0.034 A ATOM 17 C LIG 1 -1.044 -1.052 0.074 0.00 0.00 +0.074 A ATOM 18 C LIG 1 -4.575 -1.719 2.102 0.00 0.00 +0.029 A ATOM 19 N LIG 1 -1.091 -1.352 1.394 0.00 0.00 -0.229 NA ATOM 20 C LIG 1 -3.995 -1.966 3.328 0.00 0.00 +0.088 A BRANCH 15 21 ATOM 21 C LIG 1 -4.689 -1.005 -1.087 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 N LIG 1 -5.431 0.234 -0.848 0.00 0.00 -0.296 NA ATOM 23 C LIG 1 -6.694 0.266 -1.599 0.00 0.00 +0.116 C ATOM 24 C LIG 1 -7.048 1.754 -1.717 0.00 0.00 +0.130 C ATOM 25 C LIG 1 -5.809 2.494 -1.228 0.00 0.00 +0.048 C ATOM 26 C LIG 1 -4.714 1.440 -1.267 0.00 0.00 +0.087 C BRANCH 24 27 ATOM 27 O LIG 1 -7.312 2.092 -3.076 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 -7.528 3.040 -3.099 0.00 0.00 +0.210 HD ENDBRANCH 24 27 ENDBRANCH 21 22 ENDBRANCH 15 21 ENDBRANCH 1 17 BRANCH 5 29 ATOM 29 C LIG 1 6.173 0.873 -0.437 0.00 0.00 +0.163 C ATOM 30 C LIG 1 6.459 2.121 0.414 0.00 0.00 +0.240 C ATOM 31 O LIG 1 5.643 3.012 0.636 0.00 0.00 -0.273 OA ATOM 32 N LIG 1 7.739 2.225 0.911 0.00 0.00 -0.255 N ATOM 33 H LIG 1 7.922 3.046 1.473 0.00 0.00 +0.158 HD ATOM 34 C LIG 1 8.679 1.230 1.001 0.00 0.00 +0.219 C ATOM 35 O LIG 1 9.700 1.383 1.665 0.00 0.00 -0.275 OA ATOM 36 C LIG 1 8.406 -0.030 0.217 0.00 0.00 +0.098 C ATOM 37 C LIG 1 6.916 -0.326 0.154 0.00 0.00 +0.041 C ENDBRANCH 5 29 TORSDOF 5