REMARK Name = BDB036720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.971 -1.563 1.099 0.00 0.00 +0.151 A ATOM 2 C LIG 1 0.573 -1.563 1.051 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.573 -0.907 0.431 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.711 -1.687 1.009 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.286 -2.775 1.969 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.775 -2.517 3.397 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.678 -4.167 1.468 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.042 -1.450 0.754 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -3.296 -0.452 -0.151 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -2.549 -0.112 -0.729 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.947 -2.070 1.304 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.174 -2.570 1.873 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.282 -3.133 2.388 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.381 -3.914 3.030 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.399 -2.511 1.954 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 2.734 -0.674 0.424 0.00 0.00 -0.282 N ATOM 17 H LIG 1 2.266 0.018 -0.144 0.00 0.00 +0.155 HD BRANCH 16 22 ATOM 18 C LIG 1 6.823 2.199 -0.777 0.00 0.00 +0.034 A ATOM 19 C LIG 1 7.060 0.898 -1.224 0.00 0.00 +0.032 A ATOM 20 C LIG 1 6.122 -0.132 -1.013 0.00 0.00 -0.011 A ATOM 21 C LIG 1 4.908 0.138 -0.347 0.00 0.00 +0.022 A ATOM 22 C LIG 1 3.997 -0.938 -0.167 0.00 0.00 +0.132 A ATOM 23 N LIG 1 4.261 -2.189 -0.611 0.00 0.00 -0.240 NA ATOM 24 C LIG 1 5.439 -2.411 -1.223 0.00 0.00 +0.113 A ATOM 25 C LIG 1 4.690 1.457 0.112 0.00 0.00 +0.014 A ATOM 26 C LIG 1 6.384 -1.431 -1.452 0.00 0.00 +0.028 A ATOM 27 C LIG 1 5.633 2.469 -0.100 0.00 0.00 +0.024 A BRANCH 18 29 ATOM 28 C LIG 1 8.914 3.259 -1.641 0.00 0.00 +0.241 C ATOM 29 N LIG 1 7.725 3.270 -0.948 0.00 0.00 -0.282 N ATOM 30 H LIG 1 7.439 4.155 -0.554 0.00 0.00 +0.155 HD ATOM 31 O LIG 1 9.381 2.345 -2.310 0.00 0.00 -0.271 OA BRANCH 28 33 ATOM 32 C LIG 1 9.690 5.386 -0.554 0.00 0.00 +0.013 C ATOM 33 C LIG 1 9.651 4.553 -1.603 0.00 0.00 +0.060 C ENDBRANCH 28 33 ENDBRANCH 18 29 ENDBRANCH 16 22 ENDBRANCH 1 16 BRANCH 9 34 ATOM 34 C LIG 1 -4.657 -0.078 -0.551 0.00 0.00 +0.092 C BRANCH 34 35 ATOM 35 C LIG 1 -4.955 1.358 -0.021 0.00 0.00 +0.015 C ATOM 36 C LIG 1 -6.332 1.891 -0.456 0.00 0.00 +0.033 C ATOM 37 C LIG 1 -6.649 3.228 0.203 0.00 0.00 +0.160 C ATOM 38 O LIG 1 -6.572 3.127 1.621 0.00 0.00 -0.380 OA ATOM 39 C LIG 1 -5.264 2.775 2.059 0.00 0.00 +0.160 C ATOM 40 C LIG 1 -4.863 1.409 1.519 0.00 0.00 +0.033 C ENDBRANCH 34 35 BRANCH 34 41 ATOM 41 C LIG 1 -4.828 -0.190 -2.100 0.00 0.00 +0.106 C BRANCH 41 42 ATOM 42 N LIG 1 -4.611 -1.481 -2.777 0.00 0.00 -0.307 NA ATOM 43 C LIG 1 -5.383 -2.571 -2.185 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -3.214 -1.858 -2.942 0.00 0.00 +0.104 C ENDBRANCH 41 42 ENDBRANCH 34 41 ENDBRANCH 9 34 TORSDOF 8