REMARK Name = BDB016061 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.603 2.230 0.284 0.00 0.00 +0.162 A ATOM 2 N LIG 1 0.608 1.336 0.122 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -0.665 1.777 0.156 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.966 3.123 0.373 0.00 0.00 +0.043 A ATOM 5 C LIG 1 0.128 3.955 0.524 0.00 0.00 +0.125 A ATOM 6 N LIG 1 1.411 3.546 0.476 0.00 0.00 -0.235 NA ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 4.578 -0.148 0.026 0.00 0.00 -0.014 A ATOM 8 C LIG 1 3.267 0.353 0.072 0.00 0.00 +0.020 A ATOM 9 C LIG 1 2.991 1.727 0.242 0.00 0.00 +0.020 A ATOM 10 C LIG 1 4.093 2.591 0.368 0.00 0.00 +0.011 A ATOM 11 C LIG 1 5.404 2.111 0.326 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.644 0.748 0.156 0.00 0.00 +0.008 A BRANCH 7 17 ATOM 13 C LIG 1 6.602 -4.511 -1.220 0.00 0.00 +0.172 C ATOM 14 N LIG 1 5.716 -3.493 -0.711 0.00 0.00 -0.274 N ATOM 15 N LIG 1 4.553 -3.853 -0.140 0.00 0.00 -0.179 NA ATOM 16 C LIG 1 4.002 -2.686 0.205 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.805 -1.574 -0.145 0.00 0.00 +0.020 A ATOM 18 C LIG 1 5.912 -2.142 -0.742 0.00 0.00 +0.116 A ENDBRANCH 7 17 ENDBRANCH 1 9 BRANCH 4 19 ATOM 19 C LIG 1 -2.317 3.645 0.462 0.00 0.00 +0.024 A ATOM 20 C LIG 1 -2.743 4.845 -0.072 0.00 0.00 +0.116 A ATOM 21 N LIG 1 -4.071 4.946 0.228 0.00 0.00 -0.274 N ATOM 22 C LIG 1 -4.961 6.028 -0.118 0.00 0.00 +0.172 C ATOM 23 N LIG 1 -4.546 3.894 0.916 0.00 0.00 -0.179 NA ATOM 24 C LIG 1 -3.476 3.108 1.069 0.00 0.00 +0.143 A ENDBRANCH 4 19 BRANCH 3 25 ATOM 25 N LIG 1 -1.706 0.839 -0.015 0.00 0.00 -0.328 N ATOM 26 H LIG 1 -2.335 1.182 -0.739 0.00 0.00 +0.147 HD BRANCH 25 27 ATOM 27 C LIG 1 -1.277 -0.539 -0.259 0.00 0.00 +0.109 C BRANCH 27 28 ATOM 28 C LIG 1 -2.508 -1.459 -0.360 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -3.208 -1.659 1.000 0.00 0.00 +0.119 C ATOM 30 C LIG 1 -4.406 -2.606 0.876 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -4.040 -3.938 0.220 0.00 0.00 +0.003 C ATOM 32 C LIG 1 -3.318 -3.740 -1.109 0.00 0.00 +0.000 C ATOM 33 C LIG 1 -2.112 -2.812 -0.978 0.00 0.00 +0.007 C BRANCH 29 34 ATOM 34 O LIG 1 -2.307 -2.163 1.986 0.00 0.00 -0.391 OA ATOM 35 H LIG 1 -2.041 -3.065 1.746 0.00 0.00 +0.210 HD ENDBRANCH 29 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 3 25 TORSDOF 7