REMARK Name = BDB036230 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.165 0.305 -1.135 0.00 0.00 -0.326 N ATOM 2 C LIG 1 1.804 -0.624 -2.229 0.00 0.00 +0.120 C ATOM 3 C LIG 1 0.661 -0.020 -3.082 0.00 0.00 +0.103 C ATOM 4 N LIG 1 -0.549 0.373 -2.321 0.00 0.00 -0.295 NA ATOM 5 C LIG 1 -0.138 1.245 -1.192 0.00 0.00 +0.103 C ATOM 6 C LIG 1 0.997 0.684 -0.300 0.00 0.00 +0.120 C ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 5.457 -0.696 1.220 0.00 0.00 +0.126 A ATOM 8 N LIG 1 5.348 0.579 0.763 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 4.264 0.880 -0.014 0.00 0.00 +0.128 A ATOM 10 C LIG 1 3.272 -0.065 -0.351 0.00 0.00 +0.057 A ATOM 11 C LIG 1 3.434 -1.365 0.151 0.00 0.00 +0.027 A ATOM 12 C LIG 1 4.535 -1.690 0.941 0.00 0.00 +0.035 A BRANCH 7 16 ATOM 13 C LIG 1 8.728 -0.025 2.990 0.00 0.00 +0.128 C ATOM 14 N LIG 1 7.470 0.087 2.304 0.00 0.00 -0.313 N ATOM 15 H LIG 1 7.225 0.946 1.816 0.00 0.00 +0.149 HD ATOM 16 C LIG 1 6.657 -1.000 2.065 0.00 0.00 +0.262 C ATOM 17 O LIG 1 6.872 -2.131 2.485 0.00 0.00 -0.269 OA ENDBRANCH 7 16 BRANCH 9 18 ATOM 18 C LIG 1 4.141 2.305 -0.520 0.00 0.00 +0.391 C ATOM 19 F LIG 1 3.201 3.033 0.154 0.00 0.00 -0.202 F ATOM 20 F LIG 1 5.300 3.024 -0.405 0.00 0.00 -0.202 F ENDBRANCH 9 18 ENDBRANCH 1 10 BRANCH 4 21 ATOM 21 C LIG 1 -1.313 -0.808 -1.877 0.00 0.00 +0.120 C BRANCH 21 22 ATOM 22 C LIG 1 -2.699 -0.464 -1.343 0.00 0.00 -0.028 A ATOM 23 C LIG 1 -3.214 -0.985 -0.127 0.00 0.00 -0.021 A ATOM 24 C LIG 1 -2.388 -1.944 0.693 0.00 0.00 +0.046 C ATOM 25 C LIG 1 -4.492 -0.555 0.304 0.00 0.00 +0.071 A ATOM 26 C LIG 1 -5.280 0.311 -0.486 0.00 0.00 +0.091 A ATOM 27 N LIG 1 -6.563 0.753 -0.109 0.00 0.00 -0.207 NA ATOM 28 C LIG 1 -7.021 0.349 1.034 0.00 0.00 +0.282 A ATOM 29 C LIG 1 -6.253 -0.568 1.991 0.00 0.00 +0.311 A ATOM 30 O LIG 1 -6.704 -0.917 3.072 0.00 0.00 -0.262 OA ATOM 31 C LIG 1 -4.779 0.765 -1.701 0.00 0.00 +0.030 A ATOM 32 N LIG 1 -5.018 -0.969 1.541 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -4.503 -1.560 2.175 0.00 0.00 +0.169 HD ATOM 34 C LIG 1 -3.507 0.386 -2.123 0.00 0.00 +0.007 A BRANCH 28 35 ATOM 35 O LIG 1 -8.229 0.689 1.524 0.00 0.00 -0.476 OA ATOM 36 C LIG 1 -9.021 1.548 0.702 0.00 0.00 +0.279 C ENDBRANCH 28 35 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 6