REMARK Name = BDB037592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.486 -1.909 -0.215 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.362 -0.917 0.273 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.956 0.382 0.554 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.105 1.101 0.971 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.172 0.293 0.919 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.461 0.836 0.382 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.346 -0.401 0.642 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.712 -0.930 0.562 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.889 -1.558 -0.283 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.688 -2.151 -1.015 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.167 2.510 1.421 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.390 3.172 1.428 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.663 2.706 0.961 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.562 3.903 0.784 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.756 5.123 1.149 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.199 3.044 -0.397 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.476 4.584 1.834 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.147 3.110 1.770 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.573 4.716 3.303 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.676 4.843 4.454 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.722 -1.984 0.629 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.418 -2.226 -0.713 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.489 -3.308 -0.610 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.329 -4.183 0.504 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -3.970 -4.484 0.793 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.303 -3.252 1.380 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.772 -0.134 0.469 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.079 0.091 -0.472 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.717 -0.728 1.273 0.00 0.00 +0.248 C ATOM 30 O LIG 1 3.424 -1.299 2.320 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.149 -0.643 0.834 0.00 0.00 +0.079 A ATOM 32 C LIG 1 5.570 -0.243 -0.450 0.00 0.00 +0.136 A ATOM 33 O LIG 1 4.616 0.108 -1.376 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 5.053 0.096 -2.738 0.00 0.00 +0.229 C ATOM 35 C LIG 1 6.319 0.910 -2.910 0.00 0.00 +0.046 C ATOM 36 C LIG 1 7.429 0.245 -2.114 0.00 0.00 +0.042 C ATOM 37 C LIG 1 6.944 -0.181 -0.755 0.00 0.00 -0.005 A ATOM 38 C LIG 1 7.887 -0.556 0.213 0.00 0.00 +0.007 A ATOM 39 C LIG 1 7.475 -0.969 1.477 0.00 0.00 +0.001 A ATOM 40 C LIG 1 6.117 -1.010 1.784 0.00 0.00 +0.017 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 41 ATOM 41 C LIG 1 0.709 1.443 -0.995 0.00 0.00 -0.001 C ATOM 42 C LIG 1 1.827 2.435 -1.212 0.00 0.00 +0.004 C ATOM 43 C LIG 1 0.399 2.895 -1.269 0.00 0.00 +0.004 C ENDBRANCH 6 41 BRANCH 1 45 ATOM 44 C LIG 1 -0.246 -4.393 -0.375 0.00 0.00 +0.025 C ATOM 45 C LIG 1 -0.852 -3.114 -0.948 0.00 0.00 +0.112 C ENDBRANCH 1 45 TORSDOF 7