REMARK Name = BDB031746 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.766 -1.536 2.257 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.996 -2.640 1.845 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -0.722 -2.409 1.314 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.170 -1.143 1.181 0.00 0.00 +0.041 A ATOM 5 C LIG 1 1.118 -1.356 0.595 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.355 -2.660 0.423 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 -0.925 -0.035 1.609 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.231 -3.261 0.832 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.181 -4.271 0.765 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -2.204 -0.253 2.145 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -5.029 0.378 -1.360 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -4.741 -0.512 -0.315 0.00 0.00 +0.052 A ATOM 13 C LIG 1 -5.434 -0.407 0.882 0.00 0.00 -0.007 A ATOM 14 C LIG 1 -5.390 -1.174 2.174 0.00 0.00 +0.081 C ATOM 15 C LIG 1 -4.146 -1.720 2.845 0.00 0.00 +0.040 C ATOM 16 C LIG 1 -6.469 -0.532 3.017 0.00 0.00 +0.228 C ATOM 17 N LIG 1 -7.014 0.495 2.267 0.00 0.00 -0.284 N ATOM 18 H LIG 1 -7.763 1.078 2.605 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 -6.779 -0.873 4.146 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 -5.150 -2.656 2.202 0.00 0.00 +0.031 C ATOM 21 C LIG 1 -6.421 0.581 1.005 0.00 0.00 +0.038 A ATOM 22 C LIG 1 -6.733 1.471 0.000 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -6.020 1.364 -1.198 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 -4.495 1.070 -3.575 0.00 0.00 +0.277 C ATOM 25 O LIG 1 -4.278 0.180 -2.488 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 1.966 -0.333 0.335 0.00 0.00 -0.279 N ATOM 27 H LIG 1 1.645 0.610 0.515 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 3.025 -0.285 -0.606 0.00 0.00 +0.172 A ATOM 29 C LIG 1 3.983 0.723 -0.474 0.00 0.00 +0.200 A ATOM 30 C LIG 1 4.964 0.807 -1.460 0.00 0.00 +0.169 A ATOM 31 N LIG 1 5.017 -0.089 -2.465 0.00 0.00 -0.214 NA ATOM 32 C LIG 1 4.084 -1.055 -2.490 0.00 0.00 +0.130 A ATOM 33 C LIG 1 4.176 -2.081 -3.575 0.00 0.00 +0.088 C ATOM 34 N LIG 1 3.093 -1.186 -1.600 0.00 0.00 -0.214 NA BRANCH 30 35 ATOM 35 N LIG 1 5.920 1.843 -1.486 0.00 0.00 -0.307 N ATOM 36 C LIG 1 7.139 1.802 -2.249 0.00 0.00 +0.139 C ATOM 37 C LIG 1 7.621 2.977 -1.378 0.00 0.00 +0.149 C ATOM 38 C LIG 1 6.559 2.485 -0.374 0.00 0.00 +0.139 C BRANCH 37 39 ATOM 39 O LIG 1 7.438 4.309 -1.917 0.00 0.00 -0.389 OA ATOM 40 H LIG 1 6.517 4.306 -2.236 0.00 0.00 +0.210 HD ENDBRANCH 37 39 ENDBRANCH 30 35 BRANCH 29 41 ATOM 41 O LIG 1 3.907 1.643 0.544 0.00 0.00 -0.489 OA ATOM 42 C LIG 1 4.347 1.063 1.777 0.00 0.00 +0.277 C ENDBRANCH 29 41 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 7