REMARK Name = BDB024147 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.986 -0.384 -0.364 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.719 -1.850 -0.038 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.158 -2.596 -0.841 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.408 -3.943 -0.568 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.224 -4.565 0.506 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.111 -3.845 1.303 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.362 -2.499 1.031 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.229 0.977 1.441 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.073 1.489 2.298 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.935 0.499 0.917 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.973 0.793 1.532 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.195 0.608 0.231 0.00 0.00 +0.066 A ATOM 13 C LIG 1 3.135 0.103 -0.509 0.00 0.00 +0.139 A ATOM 14 N LIG 1 1.831 0.213 -0.146 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.544 0.837 1.006 0.00 0.00 +0.125 A ATOM 16 C LIG 1 2.541 1.381 1.808 0.00 0.00 +0.046 A ATOM 17 C LIG 1 3.879 1.266 1.419 0.00 0.00 +0.031 A BRANCH 12 22 ATOM 18 C LIG 1 9.186 0.772 -0.160 0.00 0.00 +0.067 C ATOM 19 C LIG 1 7.739 0.541 -0.366 0.00 0.00 +0.056 A ATOM 20 N LIG 1 7.292 -0.129 -1.471 0.00 0.00 -0.241 NA ATOM 21 C LIG 1 5.984 -0.165 -1.350 0.00 0.00 +0.204 A ATOM 22 N LIG 1 5.537 0.460 -0.205 0.00 0.00 -0.304 N ATOM 23 C LIG 1 6.676 0.913 0.428 0.00 0.00 +0.115 A ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.331 -0.277 -1.000 0.00 0.00 -0.302 NA ATOM 25 H LIG 1 -3.016 -0.346 -0.242 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.518 1.010 -1.679 0.00 0.00 +0.086 C BRANCH 26 27 ATOM 27 C LIG 1 -3.916 1.117 -2.311 0.00 0.00 +0.050 C BRANCH 27 28 ATOM 28 C LIG 1 -5.038 1.161 -1.298 0.00 0.00 -0.046 A ATOM 29 C LIG 1 -5.800 0.014 -1.035 0.00 0.00 +0.005 A ATOM 30 C LIG 1 -6.822 0.045 -0.084 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.092 1.224 0.616 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.335 2.371 0.360 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.313 2.339 -0.591 0.00 0.00 +0.005 A BRANCH 31 34 ATOM 34 C LIG 1 -8.140 1.257 1.594 0.00 0.00 +0.099 C ATOM 35 N LIG 1 -8.990 1.286 2.385 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 9