REMARK Name = BDB058053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.725 -2.110 -0.220 0.00 0.00 -0.021 A ATOM 2 C LIG 1 -1.774 -2.112 1.179 0.00 0.00 +0.009 A ATOM 3 C LIG 1 -0.594 -2.102 1.929 0.00 0.00 +0.013 A ATOM 4 C LIG 1 0.652 -2.092 1.291 0.00 0.00 +0.037 A ATOM 5 C LIG 1 0.705 -2.121 -0.108 0.00 0.00 +0.013 A ATOM 6 C LIG 1 -0.478 -2.132 -0.856 0.00 0.00 +0.009 A ENDROOT BRANCH 1 13 ATOM 7 C LIG 1 -5.820 1.366 0.600 0.00 0.00 +0.079 A ATOM 8 C LIG 1 -5.293 0.307 -0.117 0.00 0.00 +0.152 A ATOM 9 O LIG 1 -4.073 -0.301 0.079 0.00 0.00 -0.451 OA ATOM 10 C LIG 1 -3.981 -1.310 -0.872 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -5.198 -1.345 -1.720 0.00 0.00 +0.231 C ATOM 12 O LIG 1 -5.465 -2.079 -2.646 0.00 0.00 -0.283 OA ATOM 13 C LIG 1 -2.942 -2.138 -1.038 0.00 0.00 +0.058 C ATOM 14 C LIG 1 -6.010 -0.268 -1.169 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -7.263 0.169 -1.554 0.00 0.00 +0.015 A ATOM 16 C LIG 1 -7.810 1.233 -0.840 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.098 1.825 0.224 0.00 0.00 +0.017 A BRANCH 7 21 ATOM 18 N LIG 1 -3.865 1.631 2.052 0.00 0.00 -0.325 N ATOM 19 H LIG 1 -3.355 0.920 1.544 0.00 0.00 +0.145 HD ATOM 20 H LIG 1 -3.394 2.113 2.807 0.00 0.00 +0.145 HD ATOM 21 C LIG 1 -5.127 2.039 1.730 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -5.668 2.942 2.357 0.00 0.00 -0.270 OA ENDBRANCH 7 21 ENDBRANCH 1 13 BRANCH 4 23 ATOM 23 C LIG 1 1.881 -2.079 2.139 0.00 0.00 +0.244 C ATOM 24 N LIG 1 3.041 -1.654 1.532 0.00 0.00 -0.311 N ATOM 25 H LIG 1 2.970 -1.109 0.674 0.00 0.00 +0.149 HD ATOM 26 O LIG 1 1.822 -2.408 3.319 0.00 0.00 -0.270 OA BRANCH 24 27 ATOM 27 C LIG 1 4.247 -1.409 2.302 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 5.482 -1.275 1.410 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 5.354 -0.136 0.449 0.00 0.00 +0.110 A ATOM 30 N LIG 1 6.312 0.840 0.321 0.00 0.00 -0.342 N ATOM 31 H LIG 1 7.176 0.896 0.839 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 5.893 1.730 -0.634 0.00 0.00 +0.066 A ATOM 33 C LIG 1 4.665 1.231 -1.054 0.00 0.00 +0.089 A ATOM 34 C LIG 1 3.950 1.916 -2.046 0.00 0.00 +0.030 A ATOM 35 C LIG 1 4.500 3.087 -2.583 0.00 0.00 +0.002 A ATOM 36 C LIG 1 5.736 3.565 -2.141 0.00 0.00 +0.002 A ATOM 37 C LIG 1 6.465 2.894 -1.151 0.00 0.00 +0.028 A ATOM 38 N LIG 1 4.348 0.078 -0.378 0.00 0.00 -0.232 NA ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 4 23 TORSDOF 6