REMARK Name = BDB034758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.291 -3.943 2.316 0.00 0.00 +0.154 C ATOM 2 N LIG 1 -0.322 -2.595 1.828 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.688 -1.982 1.079 0.00 0.00 +0.070 A ATOM 4 C LIG 1 0.297 -0.668 0.819 0.00 0.00 +0.072 A ATOM 5 C LIG 1 1.111 0.202 0.121 0.00 0.00 +0.051 A ATOM 6 C LIG 1 2.349 -0.274 -0.349 0.00 0.00 +0.033 A ATOM 7 C LIG 1 2.724 -1.611 -0.078 0.00 0.00 +0.025 A ATOM 8 N LIG 1 -0.967 -0.474 1.397 0.00 0.00 -0.290 N ATOM 9 C LIG 1 1.893 -2.481 0.640 0.00 0.00 +0.030 A ATOM 10 C LIG 1 -1.356 -1.664 2.054 0.00 0.00 +0.330 A ATOM 11 O LIG 1 -2.379 -1.845 2.697 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 12 ATOM 12 N LIG 1 3.197 0.628 -1.028 0.00 0.00 -0.313 N ATOM 13 H LIG 1 2.679 1.326 -1.559 0.00 0.00 +0.152 HD BRANCH 12 14 ATOM 14 C LIG 1 4.601 0.653 -1.190 0.00 0.00 +0.053 A ATOM 15 C LIG 1 5.196 1.181 -2.352 0.00 0.00 +0.110 A ATOM 16 C LIG 1 6.580 1.134 -2.459 0.00 0.00 +0.148 A ATOM 17 CL LIG 1 7.442 1.741 -3.822 0.00 0.00 -0.061 Cl ATOM 18 N LIG 1 7.402 0.614 -1.519 0.00 0.00 -0.242 NA ATOM 19 C LIG 1 6.817 0.117 -0.415 0.00 0.00 +0.114 A ATOM 20 C LIG 1 5.447 0.111 -0.213 0.00 0.00 +0.044 A BRANCH 15 21 ATOM 21 C LIG 1 4.402 1.749 -3.394 0.00 0.00 +0.104 C ATOM 22 N LIG 1 3.709 2.217 -4.198 0.00 0.00 -0.191 NA ENDBRANCH 15 21 ENDBRANCH 12 14 ENDBRANCH 6 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.734 0.749 1.397 0.00 0.00 +0.145 C BRANCH 23 24 ATOM 24 C LIG 1 -2.297 1.175 0.022 0.00 0.00 +0.077 C ATOM 25 N LIG 1 -3.179 0.289 -0.761 0.00 0.00 -0.295 NA ATOM 26 C LIG 1 -3.843 1.151 -1.748 0.00 0.00 +0.085 C ATOM 27 C LIG 1 -3.862 2.563 -1.177 0.00 0.00 +0.017 C ATOM 28 C LIG 1 -3.061 2.495 0.112 0.00 0.00 +0.022 C BRANCH 25 29 ATOM 29 C LIG 1 -4.122 -0.582 -0.042 0.00 0.00 +0.118 C BRANCH 29 30 ATOM 30 C LIG 1 -5.181 0.024 0.884 0.00 0.00 +0.228 C ATOM 31 F LIG 1 -6.007 0.847 0.185 0.00 0.00 -0.248 F ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 7