REMARK Name = BDB038605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.656 -0.228 -0.279 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -1.294 -0.522 -0.406 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -0.419 0.446 -0.875 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -0.849 1.684 -1.216 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.164 1.991 -1.102 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.083 1.051 -0.643 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.958 0.200 -1.023 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.638 -0.994 -0.828 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.236 -2.100 -0.517 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.056 -0.716 -1.093 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.183 0.624 -1.447 0.00 0.00 -0.018 A ATOM 12 C LIG 1 4.424 1.153 -1.746 0.00 0.00 +0.006 A ATOM 13 C LIG 1 5.536 0.305 -1.681 0.00 0.00 +0.005 A ATOM 14 C LIG 1 5.406 -1.059 -1.325 0.00 0.00 -0.033 A ATOM 15 C LIG 1 4.136 -1.576 -1.023 0.00 0.00 +0.018 A ATOM 16 C LIG 1 1.842 1.280 -1.430 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 6.627 -1.946 -1.240 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 7.083 -2.172 0.133 0.00 0.00 -0.309 NA ATOM 19 H LIG 1 6.300 -2.505 0.693 0.00 0.00 +0.123 HD BRANCH 18 20 ATOM 20 C LIG 1 7.723 -1.006 0.747 0.00 0.00 +0.054 C ATOM 21 C LIG 1 7.960 -1.016 2.232 0.00 0.00 +0.020 C ATOM 22 C LIG 1 6.935 -0.092 1.644 0.00 0.00 +0.020 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -4.322 -1.117 1.423 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -3.603 -1.247 0.211 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -3.800 -2.409 -0.563 0.00 0.00 +0.010 A ATOM 26 C LIG 1 -4.677 -3.417 -0.154 0.00 0.00 +0.019 A ATOM 27 C LIG 1 -5.373 -3.289 1.046 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.193 -2.146 1.831 0.00 0.00 +0.031 A BRANCH 23 31 ATOM 29 C LIG 1 -6.500 0.976 2.175 0.00 0.00 +0.152 C ATOM 30 N LIG 1 -5.138 0.946 2.634 0.00 0.00 -0.317 N ATOM 31 C LIG 1 -4.156 0.043 2.300 0.00 0.00 +0.164 A ATOM 32 N LIG 1 -3.041 0.414 2.901 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 -3.296 1.549 3.635 0.00 0.00 -0.138 NA ATOM 34 C LIG 1 -4.559 1.855 3.464 0.00 0.00 +0.225 A ENDBRANCH 23 31 BRANCH 27 35 ATOM 35 C LIG 1 -6.271 -4.321 1.474 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -7.015 -5.141 1.821 0.00 0.00 -0.191 NA ENDBRANCH 27 35 ENDBRANCH 1 24 BRANCH 5 37 ATOM 37 C LIG 1 -2.610 3.386 -1.470 0.00 0.00 +0.038 C ATOM 38 C LIG 1 -2.119 4.019 -2.753 0.00 0.00 +0.010 C ATOM 39 C LIG 1 -3.554 3.604 -2.631 0.00 0.00 +0.010 C ENDBRANCH 5 37 TORSDOF 8