REMARK Name = BDB008407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.768 0.605 -0.138 0.00 0.00 -0.329 N ATOM 2 C LIG 1 -2.255 -0.592 -0.822 0.00 0.00 +0.105 C ATOM 3 C LIG 1 -0.901 -0.285 -1.462 0.00 0.00 +0.024 C ATOM 4 C LIG 1 0.102 0.249 -0.426 0.00 0.00 +0.006 C ATOM 5 C LIG 1 -0.509 1.459 0.302 0.00 0.00 +0.024 C ATOM 6 C LIG 1 -1.870 1.123 0.910 0.00 0.00 +0.105 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -6.819 0.612 1.008 0.00 0.00 +0.064 A ATOM 8 N LIG 1 -6.221 -0.573 0.730 0.00 0.00 -0.256 NA ATOM 9 C LIG 1 -4.915 -0.549 0.354 0.00 0.00 +0.134 A ATOM 10 C LIG 1 -4.119 0.592 0.249 0.00 0.00 +0.048 A ATOM 11 C LIG 1 -4.773 1.794 0.537 0.00 0.00 +0.026 A ATOM 12 C LIG 1 -6.117 1.813 0.914 0.00 0.00 +0.027 A BRANCH 7 16 ATOM 13 C LIG 1 -9.488 -2.920 2.409 0.00 0.00 +0.024 C ATOM 14 C LIG 1 -9.090 -1.726 1.526 0.00 0.00 +0.059 C ATOM 15 N LIG 1 -8.806 -0.471 2.290 0.00 0.00 -0.278 NA ATOM 16 C LIG 1 -8.312 0.643 1.403 0.00 0.00 +0.153 C ATOM 17 C LIG 1 -9.191 0.724 0.184 0.00 0.00 +0.044 A ATOM 18 N LIG 1 -9.251 1.774 -0.692 0.00 0.00 -0.356 N ATOM 19 H LIG 1 -8.706 2.623 -0.637 0.00 0.00 +0.166 HD ATOM 20 C LIG 1 -10.152 1.498 -1.699 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -10.681 0.229 -1.448 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -11.639 -0.293 -2.338 0.00 0.00 +0.010 A ATOM 23 C LIG 1 -12.032 0.467 -3.447 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -11.486 1.728 -3.674 0.00 0.00 +0.002 A ATOM 25 C LIG 1 -10.534 2.269 -2.804 0.00 0.00 +0.026 A ATOM 26 C LIG 1 -10.063 -0.246 -0.261 0.00 0.00 -0.016 A ATOM 27 C LIG 1 -10.241 -1.516 0.489 0.00 0.00 +0.056 C BRANCH 15 28 ATOM 28 C LIG 1 -7.959 -0.664 3.496 0.00 0.00 +0.199 C BRANCH 28 29 ATOM 29 C LIG 1 -7.679 0.546 4.412 0.00 0.00 +0.402 C ATOM 30 F LIG 1 -8.824 1.135 4.826 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -6.930 1.495 3.811 0.00 0.00 -0.169 F ATOM 32 F LIG 1 -7.006 0.153 5.521 0.00 0.00 -0.169 F ENDBRANCH 28 29 ENDBRANCH 15 28 ENDBRANCH 7 16 ENDBRANCH 1 10 BRANCH 4 33 ATOM 33 C LIG 1 1.443 0.655 -1.074 0.00 0.00 +0.088 C BRANCH 33 34 ATOM 34 N LIG 1 2.122 -0.418 -1.825 0.00 0.00 -0.299 NA ATOM 35 C LIG 1 3.284 0.145 -2.572 0.00 0.00 +0.110 C ATOM 36 C LIG 1 4.695 -0.371 -2.171 0.00 0.00 +0.125 C ATOM 37 N LIG 1 4.809 -0.430 -0.701 0.00 0.00 -0.318 N ATOM 38 C LIG 1 6.126 -0.466 -0.220 0.00 0.00 +0.073 A ATOM 39 C LIG 1 7.221 -0.214 -1.086 0.00 0.00 +0.147 A ATOM 40 O LIG 1 7.090 0.071 -2.424 0.00 0.00 -0.488 OA ATOM 41 C LIG 1 8.514 -0.279 -0.599 0.00 0.00 +0.025 A ATOM 42 C LIG 1 9.807 -0.048 -1.298 0.00 0.00 +0.148 C ATOM 43 N LIG 1 10.788 -0.338 -0.259 0.00 0.00 -0.281 N ATOM 44 C LIG 1 10.188 -0.547 0.974 0.00 0.00 +0.248 C ATOM 45 O LIG 1 10.717 -0.683 2.060 0.00 0.00 -0.270 OA ATOM 46 C LIG 1 8.739 -0.556 0.743 0.00 0.00 +0.045 A ATOM 47 C LIG 1 7.714 -0.765 1.640 0.00 0.00 +0.015 A ATOM 48 C LIG 1 6.405 -0.712 1.147 0.00 0.00 +0.027 A ATOM 49 C LIG 1 3.762 -1.210 -0.018 0.00 0.00 +0.121 C ATOM 50 C LIG 1 5.777 0.551 -2.738 0.00 0.00 +0.252 C ATOM 51 C LIG 1 2.573 -1.529 -0.960 0.00 0.00 +0.103 C BRANCH 43 52 ATOM 52 C LIG 1 12.201 -0.025 -0.442 0.00 0.00 +0.163 C ATOM 53 C LIG 1 12.519 1.401 0.035 0.00 0.00 +0.240 C ATOM 54 O LIG 1 11.706 2.325 0.010 0.00 0.00 -0.273 OA ATOM 55 N LIG 1 13.825 1.636 0.402 0.00 0.00 -0.255 N ATOM 56 H LIG 1 14.037 2.579 0.697 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 14.878 0.756 0.388 0.00 0.00 +0.219 C ATOM 58 O LIG 1 16.014 1.126 0.671 0.00 0.00 -0.275 OA ATOM 59 C LIG 1 14.581 -0.650 -0.077 0.00 0.00 +0.098 C ATOM 60 C LIG 1 13.140 -1.035 0.217 0.00 0.00 +0.041 C ENDBRANCH 43 52 ENDBRANCH 33 34 ENDBRANCH 4 33 TORSDOF 7