REMARK Name = BDB019103 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.138 -0.234 -0.303 0.00 0.00 +0.029 A ATOM 2 C LIG 1 1.406 0.382 -1.354 0.00 0.00 +0.096 A ATOM 3 N LIG 1 0.031 0.248 -1.311 0.00 0.00 -0.269 N ATOM 4 C LIG 1 -0.469 0.942 -2.385 0.00 0.00 +0.208 A ATOM 5 N LIG 1 0.486 1.469 -3.122 0.00 0.00 -0.224 NA ATOM 6 C LIG 1 -0.648 -0.473 -0.306 0.00 0.00 +0.202 A ATOM 7 N LIG 1 0.045 -1.031 0.650 0.00 0.00 -0.223 NA ATOM 8 C LIG 1 1.659 1.126 -2.486 0.00 0.00 +0.166 A ATOM 9 C LIG 1 1.419 -0.901 0.625 0.00 0.00 +0.125 A ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 7.840 -0.136 0.251 0.00 0.00 +0.065 C ATOM 11 C LIG 1 6.349 -0.182 0.098 0.00 0.00 +0.039 A ATOM 12 N LIG 1 5.622 0.691 0.834 0.00 0.00 -0.256 NA ATOM 13 C LIG 1 4.271 0.683 0.697 0.00 0.00 +0.046 A ATOM 14 C LIG 1 3.531 1.699 1.520 0.00 0.00 +0.066 C ATOM 15 C LIG 1 3.604 -0.206 -0.155 0.00 0.00 +0.007 A ATOM 16 C LIG 1 4.378 -1.105 -0.896 0.00 0.00 +0.012 A ATOM 17 C LIG 1 5.764 -1.091 -0.773 0.00 0.00 +0.023 A ENDBRANCH 1 15 BRANCH 6 18 ATOM 18 N LIG 1 -2.022 -0.562 -0.361 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -2.459 -0.481 -1.272 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.744 -1.465 0.522 0.00 0.00 +0.143 C BRANCH 20 21 ATOM 21 C LIG 1 -4.215 -1.180 0.429 0.00 0.00 +0.012 A ATOM 22 C LIG 1 -4.788 -0.045 0.996 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -4.157 1.084 1.721 0.00 0.00 +0.080 C ATOM 24 C LIG 1 -5.414 1.753 2.278 0.00 0.00 +0.234 C ATOM 25 O LIG 1 -6.549 1.378 1.462 0.00 0.00 -0.491 OA ATOM 26 C LIG 1 -6.147 0.212 0.865 0.00 0.00 +0.124 A ATOM 27 C LIG 1 -6.993 -0.631 0.172 0.00 0.00 +0.049 A ATOM 28 C LIG 1 -6.442 -1.777 -0.399 0.00 0.00 +0.042 A ATOM 29 C LIG 1 -5.072 -2.040 -0.269 0.00 0.00 +0.129 A ATOM 30 F LIG 1 -4.575 -3.141 -0.851 0.00 0.00 -0.205 F ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 31 ATOM 31 C LIG 1 2.927 1.534 -3.013 0.00 0.00 +0.121 C ATOM 32 N LIG 1 3.961 1.849 -3.439 0.00 0.00 -0.189 NA ENDBRANCH 8 31 TORSDOF 5