REMARK Name = BDB007894 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.022 0.281 1.400 0.00 0.00 +0.111 A ATOM 2 N LIG 1 -0.093 0.978 0.985 0.00 0.00 -0.326 N ATOM 3 C LIG 1 -1.089 0.065 0.699 0.00 0.00 +0.069 A ATOM 4 C LIG 1 -0.506 -1.171 0.939 0.00 0.00 +0.093 A ATOM 5 C LIG 1 -1.234 -2.362 0.734 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -2.576 -2.235 0.284 0.00 0.00 -0.005 A ATOM 7 C LIG 1 -3.156 -0.965 0.047 0.00 0.00 -0.040 A ATOM 8 C LIG 1 -4.580 -0.822 -0.434 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -0.604 -3.706 0.985 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -2.408 0.206 0.260 0.00 0.00 +0.032 A ATOM 11 N LIG 1 0.784 -1.015 1.380 0.00 0.00 -0.232 NA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -3.364 -3.432 0.053 0.00 0.00 +0.047 A ATOM 13 C LIG 1 -4.156 -4.045 0.997 0.00 0.00 +0.142 A ATOM 14 C LIG 1 -4.474 -3.776 2.412 0.00 0.00 +0.090 C ATOM 15 O LIG 1 -4.755 -5.131 0.437 0.00 0.00 -0.359 OA ATOM 16 N LIG 1 -4.359 -5.251 -0.883 0.00 0.00 -0.083 NA ATOM 17 C LIG 1 -3.520 -4.232 -1.107 0.00 0.00 +0.088 A ATOM 18 C LIG 1 -2.891 -4.053 -2.436 0.00 0.00 +0.070 C ENDBRANCH 6 12 BRANCH 1 19 ATOM 19 C LIG 1 2.315 0.886 1.852 0.00 0.00 +0.079 C BRANCH 19 20 ATOM 20 C LIG 1 3.212 1.360 0.706 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 21 C LIG 1 4.749 -1.836 -1.773 0.00 0.00 +0.120 A ATOM 22 C LIG 1 5.326 -1.567 -0.533 0.00 0.00 +0.046 A ATOM 23 C LIG 1 4.829 -0.532 0.267 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.750 0.251 -0.164 0.00 0.00 -0.047 A ATOM 25 C LIG 1 3.172 -0.025 -1.408 0.00 0.00 +0.007 A ATOM 26 C LIG 1 3.672 -1.059 -2.204 0.00 0.00 +0.046 A BRANCH 21 28 ATOM 27 C LIG 1 6.182 -3.676 -2.222 0.00 0.00 +0.277 C ATOM 28 O LIG 1 5.137 -2.812 -2.649 0.00 0.00 -0.495 OA ENDBRANCH 21 28 ENDBRANCH 20 24 ENDBRANCH 19 20 ENDBRANCH 1 19 BRANCH 2 29 ATOM 29 C LIG 1 -0.244 2.421 0.886 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 C LIG 1 -0.191 2.915 -0.570 0.00 0.00 +0.106 C BRANCH 30 31 ATOM 31 N LIG 1 -0.263 4.365 -0.779 0.00 0.00 -0.296 NA ATOM 32 C LIG 1 0.846 5.141 -0.200 0.00 0.00 +0.112 C ATOM 33 C LIG 1 0.421 6.027 0.983 0.00 0.00 +0.175 C ATOM 34 O LIG 1 -0.635 6.942 0.665 0.00 0.00 -0.377 OA ATOM 35 C LIG 1 -1.488 6.486 -0.394 0.00 0.00 +0.175 C ATOM 36 C LIG 1 -1.575 4.954 -0.465 0.00 0.00 +0.112 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 8