REMARK Name = BDB031821 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.105 1.730 -2.218 0.00 0.00 -0.041 A ATOM 2 C LIG 1 1.559 2.127 -0.982 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.360 1.542 -0.559 0.00 0.00 +0.068 A ATOM 4 C LIG 1 -0.334 0.602 -1.306 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -1.485 0.273 -0.520 0.00 0.00 +0.153 A ATOM 6 N LIG 1 -1.494 0.962 0.626 0.00 0.00 -0.157 NA ATOM 7 C LIG 1 0.192 0.218 -2.553 0.00 0.00 +0.014 A ATOM 8 N LIG 1 -0.381 1.709 0.575 0.00 0.00 -0.275 N ATOM 9 H LIG 1 -0.179 2.321 1.357 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.398 0.791 -2.988 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 4.796 -0.346 0.992 0.00 0.00 +0.120 A ATOM 12 C LIG 1 4.385 0.147 -0.256 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.917 1.338 -0.728 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.715 2.134 -1.987 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.399 2.336 -2.712 0.00 0.00 +0.040 C ATOM 16 C LIG 1 5.669 3.297 -1.841 0.00 0.00 +0.228 C ATOM 17 N LIG 1 6.296 3.157 -0.616 0.00 0.00 -0.284 N ATOM 18 H LIG 1 6.991 3.808 -0.283 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 5.833 4.184 -2.662 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.487 1.467 -3.312 0.00 0.00 +0.031 C ATOM 21 C LIG 1 5.871 2.007 0.052 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.301 1.552 1.280 0.00 0.00 +0.027 A ATOM 23 C LIG 1 5.749 0.357 1.752 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.559 -2.072 2.615 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.198 -1.522 1.355 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -2.399 -0.626 -0.945 0.00 0.00 -0.282 N ATOM 27 H LIG 1 -2.272 -1.085 -1.839 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.581 -1.117 -0.390 0.00 0.00 +0.128 A ATOM 29 N LIG 1 -4.218 -2.030 -1.148 0.00 0.00 -0.217 NA ATOM 30 C LIG 1 -5.362 -2.547 -0.665 0.00 0.00 +0.128 A ATOM 31 C LIG 1 -6.088 -3.539 -1.518 0.00 0.00 +0.088 C ATOM 32 N LIG 1 -5.923 -2.209 0.507 0.00 0.00 -0.237 NA ATOM 33 C LIG 1 -5.271 -1.294 1.251 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -4.085 -0.720 0.831 0.00 0.00 +0.067 A BRANCH 33 35 ATOM 35 C LIG 1 -5.882 -0.900 2.581 0.00 0.00 +0.032 C ATOM 36 C LIG 1 -5.976 -2.108 3.514 0.00 0.00 +0.014 C ATOM 37 C LIG 1 -7.257 -0.261 2.378 0.00 0.00 +0.014 C ENDBRANCH 33 35 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 5