REMARK Name = BDB011976 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.480 -0.312 -0.129 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -1.117 0.846 0.815 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -2.261 1.872 0.880 0.00 0.00 +0.031 C ATOM 4 N LIG 1 0.156 1.532 0.488 0.00 0.00 -0.265 N ATOM 5 C LIG 1 0.935 2.198 1.449 0.00 0.00 +0.217 C ATOM 6 O LIG 1 1.917 2.891 1.176 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 0.575 1.985 2.900 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.399 1.792 -0.902 0.00 0.00 +0.058 A ATOM 9 C LIG 1 0.620 0.741 -1.826 0.00 0.00 +0.058 A ATOM 10 C LIG 1 0.948 1.074 -3.152 0.00 0.00 +0.025 A ATOM 11 C LIG 1 1.033 2.405 -3.565 0.00 0.00 +0.002 A ATOM 12 C LIG 1 0.814 3.431 -2.655 0.00 0.00 +0.002 A ATOM 13 N LIG 1 0.618 -0.636 -1.421 0.00 0.00 -0.259 N ATOM 14 C LIG 1 0.508 3.126 -1.331 0.00 0.00 +0.025 A ATOM 15 C LIG 1 -0.222 -1.130 -0.432 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -0.001 -2.190 0.163 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -3.784 -1.211 0.188 0.00 0.00 +0.230 C ATOM 18 N LIG 1 -2.440 -1.245 0.480 0.00 0.00 -0.301 N ATOM 19 H LIG 1 -2.038 -2.063 0.928 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -4.274 -0.299 -0.477 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.632 -2.342 0.830 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -4.069 -3.738 0.562 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -6.356 -2.659 -0.911 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -6.058 -2.204 0.444 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -6.281 -1.205 0.487 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 13 26 ATOM 26 C LIG 1 1.659 -1.532 -1.955 0.00 0.00 +0.209 C BRANCH 26 27 ATOM 27 C LIG 1 3.085 -1.215 -1.482 0.00 0.00 +0.235 C ATOM 28 N LIG 1 3.143 -0.636 -0.232 0.00 0.00 -0.280 N ATOM 29 H LIG 1 2.293 -0.670 0.321 0.00 0.00 +0.155 HD ATOM 30 O LIG 1 4.048 -1.597 -2.142 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 C LIG 1 4.271 -0.109 0.434 0.00 0.00 +0.105 A ATOM 32 C LIG 1 5.490 0.225 -0.158 0.00 0.00 +0.147 A ATOM 33 F LIG 1 5.686 0.132 -1.479 0.00 0.00 -0.203 F ATOM 34 C LIG 1 6.540 0.749 0.603 0.00 0.00 +0.040 A ATOM 35 C LIG 1 6.382 0.961 1.972 0.00 0.00 +0.006 A ATOM 36 C LIG 1 5.165 0.658 2.576 0.00 0.00 +0.040 A ATOM 37 C LIG 1 4.128 0.136 1.806 0.00 0.00 +0.147 A ATOM 38 F LIG 1 2.962 -0.155 2.409 0.00 0.00 -0.203 F ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 13 26 TORSDOF 6