REMARK Name = BDB035129 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.043 0.613 0.217 0.00 0.00 -0.299 NA ATOM 2 C LIG 1 0.076 0.179 1.251 0.00 0.00 +0.103 C ATOM 3 C LIG 1 -1.302 -0.312 0.741 0.00 0.00 +0.120 C ATOM 4 N LIG 1 -1.939 0.688 -0.130 0.00 0.00 -0.326 N ATOM 5 C LIG 1 -1.032 1.576 -0.878 0.00 0.00 +0.120 C ATOM 6 C LIG 1 0.355 0.919 -1.057 0.00 0.00 +0.103 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -3.312 0.758 -0.283 0.00 0.00 +0.048 A ATOM 8 C LIG 1 -4.181 -0.282 0.081 0.00 0.00 +0.134 A ATOM 9 N LIG 1 -5.535 -0.279 -0.038 0.00 0.00 -0.249 NA ATOM 10 C LIG 1 -6.080 0.849 -0.562 0.00 0.00 +0.125 A ATOM 11 C LIG 1 -5.336 1.946 -0.960 0.00 0.00 +0.035 A ATOM 12 C LIG 1 -3.947 1.889 -0.814 0.00 0.00 +0.027 A BRANCH 10 13 ATOM 13 C LIG 1 -7.571 0.864 -0.695 0.00 0.00 +0.263 C ATOM 14 N LIG 1 -8.186 -0.295 -0.268 0.00 0.00 -0.305 N ATOM 15 H LIG 1 -7.556 -1.011 0.087 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -8.173 1.833 -1.143 0.00 0.00 -0.269 OA BRANCH 14 17 ATOM 17 C LIG 1 -9.652 -0.482 -0.296 0.00 0.00 +0.101 C ATOM 18 C LIG 1 -10.423 0.262 0.818 0.00 0.00 +0.104 C ATOM 19 N LIG 1 -10.312 -0.955 1.666 0.00 0.00 -0.312 NA ATOM 20 H LIG 1 -9.468 -0.940 2.241 0.00 0.00 +0.122 HD ATOM 21 C LIG 1 -10.147 -1.754 0.426 0.00 0.00 +0.104 C ENDBRANCH 14 17 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 2.138 -0.345 0.002 0.00 0.00 +0.093 C BRANCH 22 32 ATOM 23 C LIG 1 7.986 -0.360 -0.643 0.00 0.00 +0.012 C ATOM 24 C LIG 1 7.537 -1.793 -0.715 0.00 0.00 +0.240 C ATOM 25 O LIG 1 8.201 -2.665 -1.261 0.00 0.00 -0.271 OA ATOM 26 N LIG 1 6.326 -2.090 -0.137 0.00 0.00 -0.306 N ATOM 27 H LIG 1 6.008 -3.025 -0.359 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 5.369 -1.033 0.106 0.00 0.00 +0.102 C ATOM 29 C LIG 1 6.033 0.152 0.819 0.00 0.00 +0.148 C ATOM 30 N LIG 1 5.133 1.299 0.917 0.00 0.00 -0.286 NA ATOM 31 C LIG 1 3.876 1.056 1.096 0.00 0.00 +0.083 C ATOM 32 C LIG 1 3.200 -0.309 1.127 0.00 0.00 +0.046 C ATOM 33 C LIG 1 4.192 -1.470 0.965 0.00 0.00 +0.035 C ATOM 34 C LIG 1 7.277 0.535 0.075 0.00 0.00 +0.010 C BRANCH 23 36 ATOM 35 C LIG 1 10.501 -0.390 -0.650 0.00 0.00 +0.009 C ATOM 36 C LIG 1 9.235 0.003 -1.399 0.00 0.00 +0.037 C ENDBRANCH 23 36 ENDBRANCH 22 32 ENDBRANCH 1 22 TORSDOF 6