REMARK Name = BDB009420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.053 2.151 0.068 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -2.783 1.765 0.481 0.00 0.00 -0.295 N ATOM 3 C LIG 1 -1.639 2.602 0.109 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.471 1.767 -0.434 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -0.056 0.701 0.492 0.00 0.00 -0.294 N ATOM 6 C LIG 1 1.220 0.153 0.544 0.00 0.00 +0.249 C ATOM 7 O LIG 1 1.611 -0.563 1.464 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -1.011 0.333 1.538 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -2.470 0.457 1.077 0.00 0.00 +0.127 C ATOM 10 O LIG 1 -4.289 3.169 -0.576 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 -8.367 -0.999 1.603 0.00 0.00 -0.241 N ATOM 12 C LIG 1 -7.355 -0.330 0.958 0.00 0.00 +0.089 A ATOM 13 C LIG 1 -6.757 0.394 1.987 0.00 0.00 +0.113 A ATOM 14 C LIG 1 -5.663 1.226 1.718 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -5.194 1.277 0.400 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -5.813 0.561 -0.630 0.00 0.00 +0.015 A ATOM 17 N LIG 1 -7.399 0.139 3.166 0.00 0.00 -0.129 NA ATOM 18 C LIG 1 -6.910 -0.268 -0.369 0.00 0.00 +0.030 A ATOM 19 N LIG 1 -8.379 -0.719 2.923 0.00 0.00 -0.064 NA BRANCH 11 21 ATOM 20 C LIG 1 -10.293 -1.241 0.066 0.00 0.00 +0.032 C ATOM 21 C LIG 1 -9.364 -1.917 1.072 0.00 0.00 +0.103 C ATOM 22 C LIG 1 -8.733 -3.186 0.501 0.00 0.00 +0.032 C ENDBRANCH 11 21 ENDBRANCH 1 15 BRANCH 6 23 ATOM 23 C LIG 1 2.189 0.461 -0.522 0.00 0.00 +0.072 A ATOM 24 C LIG 1 1.932 0.138 -1.850 0.00 0.00 +0.135 A ATOM 25 F LIG 1 0.776 -0.439 -2.211 0.00 0.00 -0.205 F ATOM 26 C LIG 1 2.881 0.401 -2.833 0.00 0.00 +0.039 A ATOM 27 C LIG 1 4.109 0.968 -2.480 0.00 0.00 +0.007 A ATOM 28 C LIG 1 4.401 1.261 -1.138 0.00 0.00 -0.041 A ATOM 29 C LIG 1 3.425 1.013 -0.161 0.00 0.00 +0.020 A BRANCH 28 30 ATOM 30 C LIG 1 5.738 1.853 -0.748 0.00 0.00 +0.094 C BRANCH 30 31 ATOM 31 C LIG 1 6.925 1.022 -1.220 0.00 0.00 +0.087 A ATOM 32 C LIG 1 7.324 -0.196 -0.431 0.00 0.00 +0.059 A ATOM 33 N LIG 1 6.603 -0.616 0.682 0.00 0.00 -0.342 N ATOM 34 H LIG 1 5.614 -0.380 0.647 0.00 0.00 +0.146 HD ATOM 35 C LIG 1 6.846 -1.936 1.258 0.00 0.00 +0.102 C ATOM 36 C LIG 1 8.346 -2.217 1.265 0.00 0.00 +0.023 C ATOM 37 C LIG 1 8.944 -2.059 -0.140 0.00 0.00 +0.044 C ATOM 38 C LIG 1 8.418 -0.847 -0.857 0.00 0.00 +0.041 A ATOM 39 C LIG 1 9.134 -0.396 -2.070 0.00 0.00 +0.270 A ATOM 40 O LIG 1 10.127 -0.981 -2.489 0.00 0.00 -0.266 OA ATOM 41 N LIG 1 8.614 0.702 -2.703 0.00 0.00 -0.243 N ATOM 42 H LIG 1 9.098 1.030 -3.532 0.00 0.00 +0.192 HD ATOM 43 N LIG 1 7.537 1.427 -2.295 0.00 0.00 -0.174 NA ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 6 23 TORSDOF 5