REMARK Name = BDB016908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.024 -1.377 -0.727 0.00 0.00 +0.144 A ATOM 2 N LIG 1 2.299 -0.810 0.319 0.00 0.00 -0.339 N ATOM 3 H LIG 1 2.703 -0.512 1.200 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.021 -0.729 -0.104 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -0.276 -0.248 0.378 0.00 0.00 +0.161 C ATOM 6 N LIG 1 -1.132 -0.567 -0.825 0.00 0.00 -0.252 N ATOM 7 C LIG 1 -0.351 -1.146 -1.886 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.692 -1.517 -2.997 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 0.992 -1.223 -1.363 0.00 0.00 +0.149 A ATOM 10 N LIG 1 2.221 -1.634 -1.762 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.519 -0.386 -0.834 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.204 0.044 0.249 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.583 0.216 0.188 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -5.340 -0.042 -0.938 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -6.607 0.204 -0.682 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.699 0.636 0.620 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -4.666 -0.501 -2.110 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -5.400 -0.807 -3.391 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.486 0.648 1.136 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.122 1.058 2.510 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -3.320 -0.654 -2.040 0.00 0.00 +0.032 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.227 1.222 0.759 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.152 1.581 2.117 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.092 2.924 2.497 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.096 3.921 1.524 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -0.022 5.573 1.994 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.156 3.586 0.174 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.215 2.243 -0.208 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 5.290 -1.343 0.418 0.00 0.00 +0.225 A ATOM 30 C LIG 1 4.468 -1.636 -0.677 0.00 0.00 +0.079 A ATOM 31 C LIG 1 5.092 -2.214 -1.792 0.00 0.00 +0.018 A ATOM 32 C LIG 1 6.460 -2.474 -1.780 0.00 0.00 +0.021 A ATOM 33 C LIG 1 7.175 -2.148 -0.644 0.00 0.00 +0.114 A ATOM 34 N LIG 1 6.623 -1.589 0.454 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 5.646 -0.434 2.555 0.00 0.00 +0.279 C ATOM 36 O LIG 1 4.704 -0.775 1.540 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4