REMARK Name = BDB020432 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.155 -1.195 -2.116 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -0.033 -0.677 -1.587 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.569 0.168 -0.521 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -2.034 0.128 -0.822 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -2.398 -0.742 -2.003 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -3.234 -1.961 -1.599 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -3.059 0.063 -3.124 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -3.008 0.744 -0.065 0.00 0.00 +0.304 C ATOM 9 N LIG 1 -2.533 1.507 0.969 0.00 0.00 -0.291 N ATOM 10 H LIG 1 -1.657 1.960 0.778 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -4.205 0.592 -0.283 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 -1.030 -1.154 -2.379 0.00 0.00 +0.066 A ATOM 13 N LIG 1 -0.461 -1.917 -3.330 0.00 0.00 -0.277 N ATOM 14 H LIG 1 -0.883 -2.439 -4.092 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 0.882 -1.955 -3.188 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 17 ATOM 16 C LIG 1 3.593 -1.463 -2.113 0.00 0.00 +0.221 C ATOM 17 N LIG 1 2.411 -0.955 -1.601 0.00 0.00 -0.268 N ATOM 18 H LIG 1 2.449 -0.362 -0.788 0.00 0.00 +0.156 HD ATOM 19 O LIG 1 3.728 -2.183 -3.096 0.00 0.00 -0.275 OA BRANCH 16 24 ATOM 20 C LIG 1 7.399 -4.123 0.276 0.00 0.00 +0.239 C ATOM 21 N LIG 1 6.678 -3.070 -0.270 0.00 0.00 -0.298 N ATOM 22 C LIG 1 6.086 -2.096 0.640 0.00 0.00 +0.109 C ATOM 23 C LIG 1 4.733 -1.614 0.131 0.00 0.00 +0.032 C ATOM 24 C LIG 1 4.807 -1.017 -1.286 0.00 0.00 +0.078 C ATOM 25 C LIG 1 6.124 -1.369 -1.995 0.00 0.00 +0.032 C ATOM 26 C LIG 1 6.556 -2.803 -1.706 0.00 0.00 +0.109 C ATOM 27 O LIG 1 7.628 -4.222 1.480 0.00 0.00 -0.271 OA BRANCH 20 29 ATOM 28 C LIG 1 8.815 -6.052 -0.284 0.00 0.00 +0.013 C ATOM 29 C LIG 1 7.885 -5.168 -0.669 0.00 0.00 +0.060 C ENDBRANCH 20 29 ENDBRANCH 16 24 ENDBRANCH 1 17 BRANCH 9 30 ATOM 30 C LIG 1 -3.384 2.305 1.862 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 C LIG 1 -3.593 3.699 1.284 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -4.373 3.910 0.136 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -4.533 5.192 -0.393 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -3.915 6.282 0.215 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.138 6.090 1.355 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -2.977 4.809 1.885 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.693 1.605 2.346 0.00 0.00 +0.111 C BRANCH 37 38 ATOM 38 N LIG 1 -5.312 2.210 3.555 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 -4.561 1.889 4.770 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -6.693 1.736 3.692 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 7