REMARK Name = BDB015206 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.138 1.263 2.816 0.00 0.00 +0.119 A ATOM 2 N LIG 1 0.979 2.299 2.651 0.00 0.00 -0.240 NA ATOM 3 C LIG 1 0.516 3.401 2.025 0.00 0.00 +0.113 A ATOM 4 C LIG 1 -0.768 3.523 1.527 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.643 2.447 1.669 0.00 0.00 -0.013 A ATOM 6 C LIG 1 -1.167 1.304 2.326 0.00 0.00 +0.052 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.016 2.504 1.141 0.00 0.00 -0.016 A ATOM 8 C LIG 1 -3.468 1.522 0.236 0.00 0.00 +0.036 A ATOM 9 C LIG 1 -4.782 1.609 -0.250 0.00 0.00 +0.069 A ATOM 10 C LIG 1 -5.645 2.633 0.137 0.00 0.00 +0.089 A ATOM 11 N LIG 1 -6.868 2.506 -0.467 0.00 0.00 -0.236 NA ATOM 12 C LIG 1 -6.771 1.432 -1.214 0.00 0.00 +0.200 A ATOM 13 C LIG 1 -5.199 3.610 1.036 0.00 0.00 +0.030 A ATOM 14 N LIG 1 -5.532 0.851 -1.121 0.00 0.00 -0.327 N ATOM 15 C LIG 1 -3.889 3.534 1.527 0.00 0.00 +0.011 A BRANCH 14 16 ATOM 16 C LIG 1 -5.147 -0.354 -1.843 0.00 0.00 +0.091 C ATOM 17 C LIG 1 -4.017 -0.110 -2.851 0.00 0.00 +0.040 C ATOM 18 C LIG 1 -3.661 -1.403 -3.577 0.00 0.00 +0.083 C ATOM 19 N LIG 1 -3.327 -2.477 -2.642 0.00 0.00 -0.316 NA ATOM 20 H LIG 1 -2.493 -2.222 -2.111 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -4.429 -2.760 -1.724 0.00 0.00 +0.083 C ATOM 22 C LIG 1 -4.821 -1.529 -0.912 0.00 0.00 +0.040 C ENDBRANCH 14 16 ENDBRANCH 5 7 BRANCH 1 23 ATOM 23 N LIG 1 0.569 0.080 3.440 0.00 0.00 -0.327 N ATOM 24 H LIG 1 -0.109 -0.156 4.162 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 1.927 0.106 3.999 0.00 0.00 +0.135 C BRANCH 25 26 ATOM 26 C LIG 1 3.044 0.011 2.945 0.00 0.00 +0.145 C BRANCH 26 27 ATOM 27 O LIG 1 4.305 -0.171 3.618 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 4.889 -0.562 2.935 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 2.841 -1.175 1.976 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 4.031 -1.398 1.112 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 4.167 -0.313 0.113 0.00 0.00 +0.120 C ATOM 32 C LIG 1 5.224 -0.579 -0.940 0.00 0.00 -0.030 A ATOM 33 C LIG 1 5.685 -1.882 -1.192 0.00 0.00 -0.042 A ATOM 34 C LIG 1 6.643 -2.103 -2.191 0.00 0.00 +0.004 A ATOM 35 C LIG 1 7.122 -1.038 -2.954 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.653 0.252 -2.721 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.196 -3.027 -0.344 0.00 0.00 +0.051 C ATOM 38 C LIG 1 5.707 0.481 -1.722 0.00 0.00 +0.005 A ATOM 39 C LIG 1 3.904 -2.688 0.409 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 1 23 TORSDOF 8