REMARK Name = BDB044818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.421 2.570 -0.784 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.119 1.693 0.136 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.226 1.101 -0.435 0.00 0.00 +0.070 A ATOM 4 C LIG 1 1.284 1.640 -1.715 0.00 0.00 +0.092 A ATOM 5 C LIG 1 2.293 1.231 -2.610 0.00 0.00 -0.022 A ATOM 6 C LIG 1 3.224 0.274 -2.150 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.174 -0.245 -0.848 0.00 0.00 +0.020 A ATOM 8 C LIG 1 2.397 1.749 -4.014 0.00 0.00 +0.046 C ATOM 9 C LIG 1 2.151 0.155 0.026 0.00 0.00 +0.039 A ATOM 10 N LIG 1 0.269 2.541 -1.907 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 4.148 -1.236 -0.380 0.00 0.00 +0.142 A ATOM 12 N LIG 1 5.523 -1.129 -0.481 0.00 0.00 -0.327 N ATOM 13 C LIG 1 6.261 0.007 -0.980 0.00 0.00 +0.151 C ATOM 14 C LIG 1 6.089 -2.272 0.037 0.00 0.00 +0.069 A ATOM 15 C LIG 1 5.002 -3.011 0.491 0.00 0.00 +0.090 A ATOM 16 C LIG 1 5.218 -4.254 1.104 0.00 0.00 +0.030 A ATOM 17 C LIG 1 6.530 -4.722 1.238 0.00 0.00 +0.002 A ATOM 18 C LIG 1 7.606 -3.965 0.773 0.00 0.00 +0.002 A ATOM 19 C LIG 1 7.410 -2.721 0.163 0.00 0.00 +0.028 A ATOM 20 N LIG 1 3.825 -2.353 0.250 0.00 0.00 -0.228 NA ENDBRANCH 7 11 BRANCH 1 21 ATOM 21 C LIG 1 -1.647 3.396 -0.539 0.00 0.00 +0.074 C BRANCH 21 23 ATOM 22 C LIG 1 -0.686 5.693 -1.068 0.00 0.00 +0.004 C ATOM 23 C LIG 1 -1.729 4.642 -1.425 0.00 0.00 +0.004 C ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 C LIG 1 -0.364 1.450 1.489 0.00 0.00 +0.158 C BRANCH 24 25 ATOM 25 C LIG 1 -1.630 0.629 1.509 0.00 0.00 -0.028 A ATOM 26 C LIG 1 -2.797 1.141 2.092 0.00 0.00 +0.006 A ATOM 27 C LIG 1 -3.974 0.386 2.111 0.00 0.00 +0.009 A ATOM 28 C LIG 1 -4.013 -0.901 1.555 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -2.839 -1.418 0.991 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -1.661 -0.664 0.968 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 -5.253 -1.691 1.574 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -6.394 -1.354 0.818 0.00 0.00 +0.067 A ATOM 33 C LIG 1 -7.582 -2.091 0.934 0.00 0.00 +0.015 A ATOM 34 C LIG 1 -7.639 -3.197 1.779 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.514 -3.564 2.514 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -5.337 -2.817 2.415 0.00 0.00 +0.009 A BRANCH 32 37 ATOM 37 C LIG 1 -6.415 -0.213 -0.117 0.00 0.00 +0.337 C ATOM 38 O LIG 1 -7.251 0.669 -0.144 0.00 0.00 -0.245 OA BRANCH 37 39 ATOM 39 O LIG 1 -5.432 -0.304 -1.028 0.00 0.00 -0.477 OA ATOM 40 H LIG 1 -5.543 0.481 -1.601 0.00 0.00 +0.295 HD ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 2 24 TORSDOF 8