REMARK Name = BDB018599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.615 -0.221 -0.429 0.00 0.00 +0.032 C ATOM 2 C LIG 1 -2.484 -0.241 1.096 0.00 0.00 +0.104 C ATOM 3 N LIG 1 -3.248 0.830 1.707 0.00 0.00 -0.308 N ATOM 4 C LIG 1 -2.694 2.054 1.990 0.00 0.00 +0.151 A ATOM 5 N LIG 1 -3.602 2.804 2.572 0.00 0.00 -0.133 NA ATOM 6 N LIG 1 -4.743 2.055 2.705 0.00 0.00 -0.133 NA ATOM 7 C LIG 1 -1.275 2.399 1.709 0.00 0.00 +0.184 C ATOM 8 N LIG 1 -0.487 1.249 1.245 0.00 0.00 -0.288 N ATOM 9 C LIG 1 0.805 1.537 0.813 0.00 0.00 +0.250 C ATOM 10 O LIG 1 1.205 2.682 0.605 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -4.529 0.854 2.195 0.00 0.00 +0.153 A ATOM 12 C LIG 1 -1.010 -0.098 1.515 0.00 0.00 +0.133 C ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 -5.503 -0.281 2.253 0.00 0.00 +0.150 C ATOM 14 N LIG 1 -5.433 -1.216 1.106 0.00 0.00 -0.278 NA ATOM 15 H LIG 1 -5.357 -2.150 1.508 0.00 0.00 +0.125 HD ATOM 16 C LIG 1 -6.760 -1.145 0.486 0.00 0.00 +0.116 C ATOM 17 C LIG 1 -7.206 -2.524 -0.002 0.00 0.00 +0.059 C ATOM 18 C LIG 1 -6.753 -0.163 -0.692 0.00 0.00 +0.059 C ATOM 19 O LIG 1 -7.683 -0.716 1.479 0.00 0.00 -0.358 OA ATOM 20 C LIG 1 -6.953 0.205 2.299 0.00 0.00 +0.188 C ENDBRANCH 11 13 BRANCH 9 21 ATOM 21 C LIG 1 1.751 0.447 0.528 0.00 0.00 +0.072 A ATOM 22 C LIG 1 2.192 -0.408 1.534 0.00 0.00 +0.135 A ATOM 23 F LIG 1 1.724 -0.297 2.785 0.00 0.00 -0.205 F ATOM 24 C LIG 1 3.115 -1.408 1.249 0.00 0.00 +0.039 A ATOM 25 C LIG 1 3.624 -1.536 -0.046 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.228 -0.650 -1.062 0.00 0.00 -0.041 A ATOM 27 C LIG 1 2.275 0.337 -0.765 0.00 0.00 +0.020 A BRANCH 26 28 ATOM 28 C LIG 1 3.781 -0.769 -2.465 0.00 0.00 +0.093 C BRANCH 28 29 ATOM 29 C LIG 1 5.296 -0.918 -2.517 0.00 0.00 +0.074 A ATOM 30 C LIG 1 6.171 0.261 -2.288 0.00 0.00 +0.011 A ATOM 31 C LIG 1 7.548 0.051 -2.345 0.00 0.00 +0.050 A ATOM 32 C LIG 1 8.442 1.108 -2.138 0.00 0.00 +0.014 A ATOM 33 C LIG 1 7.953 2.386 -1.871 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.578 2.603 -1.811 0.00 0.00 +0.001 A ATOM 35 C LIG 1 8.057 -1.299 -2.631 0.00 0.00 +0.272 A ATOM 36 O LIG 1 9.259 -1.529 -2.699 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 7.110 -2.276 -2.815 0.00 0.00 -0.242 N ATOM 38 H LIG 1 7.444 -3.212 -3.021 0.00 0.00 +0.192 HD ATOM 39 C LIG 1 5.686 1.546 -2.018 0.00 0.00 +0.010 A ATOM 40 N LIG 1 5.762 -2.108 -2.762 0.00 0.00 -0.175 NA ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 9 21 TORSDOF 4